Publications - Gautam R. Desiraju 

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Full List of Publications

Books

1. Organic Solid State Chemistry, edited by G. R. Desiraju, Studies in Organic Chemistry 32, Elsevier, Amsterdam, 1987: multi-author work with 16 chapters, 550 pages.

 

2. Crystal Engineering.  The Design of Organic Solids by G. R. Desiraju, Materials Science Monographs 54, Elsevier, Amsterdam, 1989: 312 pages.

 

3. The Crystal as a Supramolecular Entity edited by G. R. Desiraju, Perspectives in Supramolecular Chemistry, 2, Wiley, Chichester, 1996: multi-author work with 6 chapters, 309 pages.

 

4. The Weak Hydrogen Bond in Structural Chemistry and Biology by G. R. Desiraju and T. Steiner, Oxford University Press, Oxford, 1999: 528 pages.

 

5. Crystal Design. Structure and Function edited by G. R. Desiraju, Perspectives in Supramolecular Chemistry, 7, Wiley, Chichester, 2003: multi-author work with 9 chapters, 408 pages.



Papers

 

1. Conversion in the solid state of the yellow to the red form of  2-(4’-methoxyphenyl)-1,4-benzoquinone. X-ray crystal structures of  the two forms and anisotropy of the rearrangement.

G. R. Desiraju, I. C. Paul and D. Y. Curtin

J. Am. Chem. Soc., 99, 1594-1601 (1977).

 

2. Crystal growth by non-aqueous gel diffusion.

G. R. Desiraju, D. Y.Curtin and I. C. Paul

J. Am. Chem. Soc., 99, 6148 (1977). 

 

3. Synthesis and interconversion by hydrogen exchange of  isomeric quinhydrones.

G. R. Desiraju, D. Y.Curtin and I. C. Paul

J. Org. Chem., 46, 4071-4075 (1977).

 

4. Resonance interactions in metal chelates of ortho-hydroxyazo compounds.  Crystal growth, Structure and Spectra of 1-(2-Pyridylazo)-2-naphtholato-copper (II).

G. R. Desiraju, H. R. Luss and D. L. Smith

J. Am. Chem. Soc., 100, 6375-6382 (l978).

 

5. Structure studies of 1:1 quinone-hydroquinone complexes.

G. R. Desiraju, I. C. Paul and D. Y. Curtin

Mol. Cryst. Liq. Cryst., 52, 259-266 (1979).

 

6. Phase transition in malonic acid; an infrared study.

S. Ganguly, J. R. Fernandes, G. R. Desiraju and C. N. R. Rao 

Chem. Phys. Lett., 69, 227-229 (l980).

 

7. Organic solid state chemistry-I. Topochemistry.

G. R. Desiraju

Indian J. Chem. Ed., 7(1), 1-8 (1980).

 

8. Organic solid state chemistry-II. Non-topochemical processes.

G. R. Desiraju

Indian J. Chem. Ed., 7(2), 1-6 (1980).

 

9. Phase transitions in solid hydrogen bonded p-chlorobenzamide, p-nitrophenol and an azo dye.

S. Ganguly and G. R. Desiraju

Indian J. Chem., 20A, 80-81 (1981).

 

10. Organic reactions in inorganic matrices-oxidation of hydroquinone to p-benzoquinone on solid MoO3 surfaces.

G. R. Desiraju and B. P. Shastry

Proc. Indian Acad. Sci. (Chem. Sci.), 90, 243-246 (1981).

 

11. A mild transformation of γ-FeOOH to γ-Fe2O3 using organic reagents.

G. R. Desiraju and M. Rao

Mat. Res. Bull., 17, 443-449 (1982).

 

12. 6-Chloro-4-phenyl-1-methyl-2,1,3-benzothiadiazine-2,2’-dioxide.

G. R. Desiraju and R. Kamala

Acta Crystallogr., Section C, 39, 358-360 (1983).

 

13. Intermolecular proton transfers in the solid state: conversion of the hydroxyazo to the quinonehydrazone tautomer of 2-amino-3-hydroxy-6-phenylazopyridine. X-ray crystal structures of the two forms.

G. R. Desiraju

J. Chem. Soc., Perkin Transac. 2, 1025-1030 (1983).

 

14. Crystal engineering via donor-acceptor interactions. X-ray crystal structure and solid state reactivity of the 1:1 complex 3,4-dimethoxycinnamic acid-2,4-dinitrocinnamic acid.

J. A. R. P. Sarma and G. R. Desiraju

J. Chem. Soc., Chem. Commun., 45-46 (1983).

 

15. Structural mimicry and the photoreactivity of organic solids.

W. Jones, C. R. Theocharis, J. M. Thomas and G. R. Desiraju

J. Chem. Soc., Chem. Commun., 1443-1444 (1983).

 

16. Crystal engineering via non-bonded interactions involving oxygen.  X-ray crystal structures of 3,4-methylenedioxycinnamic acid and 3,4-dimethoxycinnamic acid.

G. R. Desiraju, R. Kamala, B. H. Kumari and J. A. R. P. Sarma

J. Chem. Soc., Perkin Transac. 2, 181-189 (1984).

 

17. Crystal engineering via Cl···Cl non-bonded interactions. The novel 2:1 complex 6-chloro-3,4-methylenedioxycinnamic acid - 2,4-dichlorocinnamic acid. Topochemical conversion to an unsymmetrical cyclobutane and kinetics of the reaction.

J. A. R. P. Sarma and G. R. Desiraju

J. Chem. Soc., Chem. Commun., 145-147 (1984).

 

18. Organic solid state chemistry – some perspectives.

G. R. Desiraju 

Proc. Indian Acad. Sci. (Chem. Sci.), 93, 407-419 (1984).

 

19. An NMR method to distinguish between truxinic and truxillic dimers of some trans-cinnamic acids.

J. A. R. P. Sarma and G. R. Desiraju

Indian J.Chem., B23, 658-659 (1984).

 

20. The use of mixed crystals for engineering organic solid state reactions : applications to benzylbenzylidenecyclopentanones.

C. R. Theocharis, G. R. Desiraju and W. Jones

J. Am. Chem. Soc., 106, 3606-3609 (1984).

 

21. An investigation into the role of chloro-substituents in hydrogen bonded crystals: the crystal structures of the dichlorophenols.

N. W. Thomas and G. R. Desiraju

Chem. Phys. Lett., 110, 99-102 (1984).

 

22. Carrying out organic chemistry within crystalline solids

G. R. Desiraju

Endeavour, 8, 201-206 (1984).

 

23. Determination of an organic crystal structure with the aid of topochemical and related considerations: correlation of the molecular and crystal structures of α-benzylidene-γ-butyrolactone and  2-benzylidenecyclopentanone with their solid state photoreactivity.

S. K. Kearsley and G. R. Desiraju

Proc. Roy. Soc. London  Ser.A, 397, 157-181 (1985).

 

24. The chloro-substituent as a steering group : a comparative study of non-bonded interactions and hydrogen bonding in crystalline chloro-aromatics.

J. A. R. P. Sarma and G. R. Desiraju

Chem. Phys. Lett., 117, 160-164 (1985).

 

25. Organische Chemie in kristallinen Festkörpern.

G. R. Desiraju

Die Umschau, 413-417 (1985).

 

26. The novel 1:1 donor acceptor complex 3,4-dimethoxycinnamic acid  2,4-dinitrocinnamic acid. Crystal engineering, structure and anomalous lack of solid state topochemical reactivity.

J. A. R. P. Sarma and G. R. Desiraju

J. Chem. Soc., Perkin Transac. 2, 1905-1912 (1985).

 

27. Some chemical implications of database derived crystallographic information.

G. R. Desiraju

Indian J.Chem., B25, 1-8 (1986).

 

28. What is the maximum yield in the solid state cinnamic acid dimerisation?  A combinatorial mathematical approach.

G. R. Desiraju  and V. Kannan

Proc. Indian Acad. Sci. (Chem. Sci.), 96, 351-362 (1986).

 

29. Crystal engineering and chemical reactivity of organic molecular solids.

G. R. Desiraju

Proc. Indian Natnl. Sci. Acad., 52A, 379-399 (1986).

 

30. The chloro-methyl exchange rule and its violations in the packing of organic molecular solids.

G. R. Desiraju and J. A. R. P. Sarma

Proc. Indian Acad. Sci. (Chem. Sci.), 96, 599-605 (1986).

 

31. Molecular discrimination in the formation of mixed crystals of some substituted chlorocinnamic acids.

  J. A. R. P. Sarma and G. R. Desiraju

J. Am. Chem. Soc., 108, 2791-2793 (1986).

 

32. Recent studies on the formation and properties of quinhydrone complexes.

A. O. Patil, W. T. Pennington, G. R. Desiraju, D. Y. Curtin and I. C. Paul, 

Mol. Cryst. Liq. Cryst., 134, 279-304 (1986).

 

33. The role of non-bonded interactions involving sulphur in the crystal engineering of 4Å-short axis structures. Unusual topochemical reactivity of 4-(4-chlorophenyl)thiazole-2(1H)-thione.

V. Nalini and G. R. Desiraju

J. Chem. Soc., Chem. Commun., 1030-1032 (1986).

 

34. The role of Cl···Cl and CH···O interactions in the crystal engineering of 4Å - short axis structures.

J. A. R. P. Sarma and G. R. Desiraju

Acc. Chem. Res., 19, 222-228 (1986).

 

35. Hydrogen bonding and phase transitions in pentachlorophenol – hexachlorobenzene solid solutions.

Md. A. Masood and G. R. Desiraju

Chem. Phys. Lett., 130,199-202 (1986).

 

36. Dipole-dipole interactions and the inversion motif in the crystal structures of planar chloro aromatics: the unusual packings of 1,2,3-trichlorobenzene and 1,2,3,7,8,9-hexachlorodibenzo-p-dioxin.

G. R. Desiraju, J. A. R. P. Sarma and T. S. R. Krishna

Chem. Phys. Lett., 131,124-128 (1986).

 

37. Interstack and intrastack forces in molecular solids: a new look at donor-acceptor complexes and organic metals.

G. R. Desiraju

Curr. Sci. (India), 55, 1009-1012 (1986).

 

38. Structure of 3-hydroxy-6-(4’-methyl)phenylazopyridine.

T. S. R. Krishna and G. R. Desiraju

Acta Crystallogr., Section C, 42, 1246-1248 (1986).

 

39. Crystal engineering, X-ray crystallography and organic solid state chemistry

G. R. Desiraju

Indian J.Phys., 61A, 43-50 (1987).

 

40. The crystal and molecular structure of 3,4-dihydroxy-trans-cinnamic acid, C9H8O4,caffeic acid and its lack of solid state topochemical reactivity.

S. Garcia-Granda, G. Beurskens, P. T. Beurskens, T. S. R. Krishna and G. R. Desiraju  

Acta Crystallogr., Section C, 43, 683-685 (1987).

 

41. Crystal engineering through non-bonded contacts to sulphur. Structure and solid state photoreactivity of 4-(4'-chloro)phenyl-Δ-4-thiazolene-2-thione.

V. Nalini and G. R. Desiraju

Tetrahedron, 43, 1313-1320 (1987).

 

42. Gas-solid reaction of 4-phenylthiazole-2(1H)-thione.

V. Nalini and G. R. Desiraju

J. Chem. Soc., Chem. Commun. , 1046-1048 (1987).

 

43. Crystal engineering a 4 Å-short axis for planar chloro aromatics:  

G. R. Desiraju in Organic Solid State Chemistry, Ed. G. R. Desiraju, Elsevier, Amsterdam (1987), pp 519-546.

 

44. Correlation between crystallographic and spectroscopic properties for CH···O bonds in terminal acetylenes.

G. R. Desiraju and B. N. Murty

Chem. Phys. Lett., 139, 360-361 (1987).

 

45. Mixed crystals of 6-chloro-3,4-methylenedioxycinnamic acid with 2,4- and 3,4-dichlorocinnamic acids. Structure, topochemistry and intermolecular interactions.

  J. A. R. P. Sarma and G. R. Desiraju

J. Chem. Soc., Perkin Transac. 2, 1187-1193 (1987).

 

46. CH···O interactions and the adoption of 4Å-short axis structures by oxygenated aromatic compounds.

J. A. R. P. Sarma and G. R. Desiraju

J. Chem. Soc., Perkin Transac. 2, 1195-1202 (1987).

 

47. Designing organic crystals.

G. R. Desiraju

Prog. Solid State Chem., 17, 295-353  (1987)

 

48. Crystal engineering a solid state Diels-Alder reaction.

K. V. R.Kishan and G. R. Desiraju

J. Org. Chem., 52, 4640-4641 (1987)

 

49. Structure and photochemical reactivity of some chlorocinnamic acid molecular complexes.

G. R. Desiraju

Izv. Sib. Otd. Akad. Nauk SSSR, Ser. Khim. Nauk, 15-21 (1987).

 

50. Structure of (4 SR, 6a RS)-4-[-2-methyl-1,3-dioxalan-2-yl)ethyl]-4,5,6,6a-tetrahydro-5,5,6a-trimethyl-2(1H)-pentalenone.

V. Nalini and G. R. Desiraju

Acta Crystallogr., Section C, 44, 510-512 (1988).

 

51. The crystal and molecular structures of  4-hydroxy-3-methoxycinnamic acid, C10H10O4, ferulic acid.

M. Nethaji, V. Pattabhi and G. R. Desiraju

Acta Crystallogr., Section C, 44, 275-277 (1988).

 

52. Prediction of non-centrosymmetric packing for 1,3-disubstituted nitro  aromatics. Crystal and molecular structure of 3-hydroxy- 6-(3’-nitro)-phenylazopyridine.

G. R. Desiraju and T. S. R. Krishna

Mol. Cryst. Liq. Cryst., 159, 277-287 (1988).

 

53. Non-centrosymmetry in organic crystals: a study of molecular conformation in some substituted tolans.                     

G. R. Desiraju and T. S. R. Krishna

J. Chem. Soc., Chem. Commun., 192-194 (1988).

 

54. A systematic analysis of packing energies and other packing parameters for fused-ring aromatic hydrocarbons.

A. Gavezzotti and G. R. Desiraju

Acta Crystallogr., Section B, 44, 427-434 (1988).

 

55. A convenient preparation of 2,5-dibenzylidenecyclopent-3-ene-1-ones.

G. R. Desiraju and K. V. R. Kishan

Indian J.Chem., B27, 953-954 (1988).

 

56. Distance dependence of CH···O interactions in some chloroalkyl compounds.

G. R. Desiraju

J. Chem. Soc., Chem. Commun., 179-180 (1989).

 

57. From molecular to crystal structure: polynuclear aromatic hydrocarbons.

G. R. Desiraju and A. Gavezzotti

J. Chem. Soc., Chem. Commun., 621-623 (1989).

 

58. Structure of 4-phenylthiazole-2(1h)-thione and 4-chlorophenacyl disulphide, the product obtained on its gas-solid chlorination.

V. Nalini and G. R. Desiraju

Acta Crystallogr., Section C, 45, 1525-1527 (1989).

 

59. Tautomerism in the thiazole thiones. Crystal and molecular structure of 4-(3'-nitro)-phenylthiazole-2(1H)-thione.

V. Nalini and G. R. Desiraju

Acta Crystallogr., Section C, 45, 1528-1530 (1989).

 

60. Crystal chemistry of some alkoxyphenylpropiolic acids. the role of oxygen and hydrogen atoms in determining stack structures of planar aromatic compounds. 

G. R. Desiraju and K. V. R. Kishan

J. Am. Chem. Soc., 111, 4838-4843 (1989).

 

61. Crystal structure and solid state photoreactivity of 2,5-dibenzylidenecyclopent-3-ene-1-one and its tetrachloro derivative.

G. R. Desiraju, J. Bernstein, K. V. R. Kishan and J. A. R. P. Sarma

Tetrahedron Lett., 30, 3029-3032 (1989).

 

62. Crystal structures of polynuclear aromatic hydrocarbons. classification, rationalisation and prediction from molecular structure.

G. R. Desiraju and A. Gavezzotti

Acta Crystallogr., Section B, 45, 473-482 (1989).

 

63. Solid state dimerisation of β-nitrostyrene: a disordered photoreactive crystal.

G. R. Desiraju and V. R. Pedireddi

J. Chem. Soc., Chem. Commun., 1112-1113 (1989).

 

64. Cyano···halogen interactions and their role in the crystal structures of the 4-halobenzonitriles.

G. R. Desiraju and R. L. Harlow

J. Am. Chem. Soc., 111, 6757-6764 (1989). 

 

65. The nature of halogen···halogen interactions: are short halogen contacts due to specific attractive forces or due to close packing of non-spherical atoms?

G. R. Desiraju and R. Parthasarathy

J. Am. Chem. Soc., 111, 8725-8726 (1989).

 

66. Clathrate compound of a new host material: 3-hydroxy-6-(4’-nitro) phenylazopyridine.

P. Ramachandra, T. S. R. Krishna and G. R. Desiraju

Proc. Indian Acad. Sci., (Chem. Sci.), 101, 329-334 (1989).

 

67. Strength and linearity of CH···O bonds in molecular crystals: a database study of some terminal alkynes.

G. R. Desiraju

J. Chem. Soc., Chem. Commun., 454-455 (1990).

 

68. Structure of L-lanthionine.

G. R. Desiraju and D. R. Rao

Acta Crystallogr., Section C, 46, 627-629 (1990).

 

69. Structure of perhydrotriphenylene.

R. L. Harlow and G. R. Desiraju

Acta Crystallogr., Section C, 46, 1054-1055 (1990).

 

70. Unexpected hydrogen bonding in the cystal structure of 4-chloro-phenylpropiolic acid. The role of CH···O hydrogen bonds in determining OH···O networks.

G. R. Desiraju, B. N. Murty and K. V. R. Kishan

Chem. Mater., 2, 447-449 (1990).

 

71. Organic compounds and materials science.

G. R. Desiraju

Curr. Sci. (India), 59, 452-455 (1990).

 

72. Database analysis of crystal structure determining interactions involving sulphur. Implications for the design of organic metals.

G. R. Desiraju and V. Nalini

J. Mater. Chem., 1, 201-203 (1991).

 

73. Hydration in organic crystals. Prediction from molecular structure.

G. R. Desiraju 

J. Chem. Soc., Chem. Commun., 426-428 (1991)

 

74. Pseudo-inversion centres in the space group P1-bar and a redetermination of the crystal structure of 3,4-dimethoxycinnamic acid. a study of non-crystallographic symmetry.

G. R. Desiraju, J. C. Calabrese and R. L. Harlow,

  Acta Crystallogr., Section B, 47, 77-86 (1991). 

 

75. CH···O hydrogen bonding and topochemistry in crystalline 3,5-dinitrocinnamic acid and its 1:1 donor-acceptor complex with 2,5-dimethoxycinnamic acid.

G. R. Desiraju and C. V. K. M. Sharma

J. Chem. Soc., Chem. Commun., 1239-1241 (1991).

 

76. Unusual 2 + 2 topochemical cycloadditions of 3-cyano and 4-cyanocinnamic acids. Temperature dependent solid state photochemical reactions.

M. S. K. Dhurjati, J. A. R. P. Sarma and G. R. Desiraju 

  J. Chem. Soc., Chem. Commun., 1702-1703 (1991).

 

77. The CH···O hydrogen bond in organic crystals. What is it?

G. R. Desiraju 

Acc.Chem.Res., 24, 290-296 (1991).

 

78. CH···O interactions and the deliberate design of organic crystal structures.

G. R. Desiraju

Mol. Cryst. Liq. Cryst., 211, 63-74 (1992).

 

79. Crystal engineering and solid state chemistry of some β-nitrostyrenes.

V. R. Pedireddi, J. A. R. P. Sarma and G. R. Desiraju

J. Chem. Soc., Perkin Transac. 2, 311-320 (1992).

 

80. Molecular recognition via CH···O hydrogen bonding. Crystal structure of the 1:1 complex 4-nitrobenzoic acid - 4-(N,N-dimethylamino)benzoic acid.

C. V. K. M. Sharma, K. Panneerselvam, T. Pilati and G. R. Desiraju

J. Chem. Soc., Chem. Commun., 832-833 (1992).

 

81. A crystallographic scale of carbon acidity.

V. R. Pedireddi and G. R. Desiraju

J. Chem. Soc., Chem. Commun., 988-990 (1992).

 

82. Database analysis of Au···Au interactions.

S. S. Pathaneni and G. R. Desiraju

J. Chem. Soc., Dalton Transac., 319-322 (1993).

 

83. Structure of (4-bromophenyl)propiolic acid and its unusual hydrogen bonding pattern.

B. S. Goud and G. R. Desiraju

Acta Crystallogr., Section C, 49, 292-294 (1993).

 

84. Structure of 4-iodo-trans-cinnamic acid and a study of carboxyl group conformation and disorder.

B. S. Goud, S. S. Pathaneni and G. R. Desiraju

Acta Crystallogr., Section C, 49, 1107-1111 (1993).

 

85. CH···O packing motifs in some cyclopenta[a]phenanthrenes.

G. R. Desiraju, S. Kashino, M. M. Coombs and J. P. Glusker

Acta Crystallogr., Section B, 49, 880-892 (1993).

 

86. Determination of the crystal structure of 4-iodo-β-nitrostyrene with the aid of packing considerations: a study of halogen···nitro interactions.

G. R. Desiraju, V. R. Pedireddi, J. A. R. P. Sarma and D. E. Zacharias

Acta Chim. Hungarica – Models in Chemistry, 130, 451-465 (1993).

[Kitaigorodskii Memorial Issue]

 

87. Evidence for OH···C and NH···C hydrogen bonding in crystalline alkynes, alkenes and aromatics.

M. A. Viswamitra, R. Radhakrishnan, J. Bandekar and G. R. Desiraju

J. Am. Chem. Soc., 115, 4868-4869 (1993).

 

88. Molecular tapes based on CN···Cl interactions.

D. S. Reddy, K. Panneerselvam, T. Pilati and G. R. Desiraju.

J. Chem. Soc., Chem. Commun., 661-662 (1993).

 

89. CH···N mediated hexagonal network in the crystal structure of the 1:1 molecular complex 1,3,5-tricyanobenzene – hexamethylbenzene.

D. S. Reddy, B. S.Goud, K. Panneerselvam and G. R. Desiraju

  J. Chem. Soc., Chem. Commun., 663-664 (1993).

 

90. Database studies of halide ion pairs with bridging H2O and NH2 amino molecules.

S. S. Pathaneni and G. R. Desiraju

J. Chem. Soc., Dalton Transac., 2505-2508 (1993).

 

91. Solid state supramolecular assembly via CH···O hydrogen bonds: crystal structures of the complex of 1,3,5-trinitrobenzene with dibenzylideneacetone and 2,5-dibenzylidenecyclopentanone.

K. Biradha, C. V. K. M. Sharma, K. Panneerselvam, L. Shimoni, H. L. Carrell, D. E. Zacharias and G. R. Desiraju

J. Chem. Soc., Chem. Commun., 1473-1475 (1993).

 

92. Molecular recognition involving an interplay of OH···O, CH···O and π···π interactions. The anomalous crystal structure of the 1:1 complex 3,5-dinitrobenzoic acid - 4-(N,N-dimethylamino)benzoic acid.

C. V. K. Sharma, K. Panneerselvam, T. Pilati and G. R. Desiraju

J. Chem. Soc., Perkin Transac. 2,  2209-2216 (1993).

 

93. N···Br mediated diamondoid network in the crystalline complex, carbon tetrabromide:hexamethylenetetramine.

D. S. Reddy, D. C. Craig, A. D. Rae and G. R. Desiraju

J. Chem. Soc., Chem. Commun., 1737-1738 (1993).

 

94. Molecular and crystal structure of 1-(8-carboxyoctyl)-1,3,5,7-tetraazaadamantan-1-ium bromide and 1-(6-bromohexyl)-1,3,5,7-tetraazaadamantan-1-ium bromide.

D. S. Reddy, K. Panneerselvam, L. Shimoni, H. L. Carrell and G. R. Desiraju

J. Mol. Str., 327, 113-120 (1994).

[C. N. R. Rao Commemoration Issue]

 

95. 3-(3’,5’-Dinitrophenyl)-4-(2’,5’-dimethoxyphenyl)cyclobutane-1,2-dicarboxylic acid. Engineered topochemical synthesis, molecular and supramolecular properties.

C. V. K. Sharma, K. Panneerselvam, L. Shimoni, H. Katz, H. L. Carrell and G. R. Desiraju

Chem. Mater., 6, 1282-1292 (1994).

[Etter Memorial Issue]

 

96. Organic alloys. Diamondoid networks in crystalline complexes of 1,3,5,7-tetrabromoadamantane, hexamethylenetetramine and carbon tetrabromide.

D. S. Reddy, D. C. Craig and G. R. Desiraju

J. Chem. Soc., Chem. Commun., 1457-1458 (1994).

 

97. CH···O hydrogen bond patterns in crystalline nitro compounds. Studies in solid state molecular recognition.

C. V. K. Sharma and G. R. Desiraju

J. Chem. Soc., Perkin Transac. 2, 2345-2352 (1994).

 

98. The nature of halogen···halogen interactions and the crystal structure of 1,3,5,7-tetraiodoadamantane.

V. R. Pedireddi, D. S. Reddy, B. S. Goud, D. C. Craig, A.D.Rae and G. R. Desiraju

J. Chem. Soc., Perkin Transac. 2, 2353-2360 (1994).

 

99. Towards inorganic supramolecular chemistry.

G. R. Desiraju

Proc. Indian Acad. Sci. (Chem. Sci.), 106, 593-597 (1994).

 

100. Hydrogen bonding in organometallic crystals – 1. From carboxylic acids and alcohols to carbonyl compounds.

D. Braga, F. Grepioni, P. Sabatino and G. R. Desiraju

Organometallics, 13, 3532-3543 (1994).

 

101. Molecular recognition via iodo···nitro and iodo···cyano interactions: crystal structures of the 1:1 complexes of 1,4-diiodobenzene with 1,4-dinitrobenzene and 7,7,8,8-tetracyanoquinodimethane (TCNQ).

F. H. Allen, B. S. Goud, V. J. Hoy, J. A. K. Howard and G. R. Desiraju

J. Chem. Soc., Chem. Commun., 2729-2730 (1994).

 

102. Intramolecular Michael-type addition in the solid state.

B. S. Goud, K. Panneerselvam, D. E. Zacharias and G. R. Desiraju

J. Chem. Soc., Perkin Transac. 2, 325-330 (1995).

 

103. Topological equivalences between organic and inorganic crystal structures: 1,3,5,7-tetrahydroxyadamantane and caesium chloride.

D. S. Reddy, D. C. Craig and G. R. Desiraju

J. Chem. Soc., Chem. Commun., 339-340 (1995).

 

104. Hexagonal supramolecular networks in the crystal structure of the 1:1 molecular complex trimethylisocyanurate  1,3,5-trinitrobenzene.

V. R. Thalladi, K. Panneerselvam, C. J. Carrell, H. L. Carrell and G. R. Desiraju

J. Chem. Soc., Chem. Commun., 340-341 (1995).

 

105. Hydrogen bonding in organometallic crystals – 2. CH···O hydrogen bonds in bridged and terminal first row metal carbonyls.

D. Braga, F. Grepioni, K. Biradha, V. R. Pedireddi and G. R. Desiraju

J. Am. Chem. Soc., 117, 3156-3166  (1995).

 

106. 4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone.

B. S. Goud, K. Panneerselvam, D. E. Zacharias and G. R. Desiraju

Acta Crystallogr., Section C, 51, 265-267 (1995).

 

107. 1:1 Molecular complex of 2,3,4,5,6-pentafluoro-trans-cinnamic acid and 4-(N,N-dimethylamino)-trans-cinnamic acid.

B. S. Goud, P. K. Reddy, K. Panneerselvam and G. R. Desiraju

Acta Crystallogr., Section C, 51, 683-685 (1995).

 

108. Methyl 3,5-dinitro-trans-cinnamate.

C. V. K. Sharma, K. Panneerselvam, T. Pilati and G. R. Desiraju

Acta Crystallogr., Section C, 51, 1364-1366 (1995).

 

109. Supramolecular synthons in crystal engineering – a new organic synthesis.

G. R. Desiraju

Angew. Chem., 107, 2541-2557 (1995); Angew. Chem. Int. Ed. Engl., 34, 2311-2327 (1995).

 

110. Solid state nuclear bromination of some phenols by N-bromosuccinimide.

B. S. Goud and G. R. Desiraju

J.Chem.Res.(S), 244-245 (1995). 

 

111. (4-Dimethylaminopyridine)5(benzoic acid)3(H2O)10 a two-dimensional clathrate hydrate.

K. Biradha, R. E. Edwards, G. J. Foulds, W. T. Robinson and G. R. Desiraju

J. Chem. Soc., Chem. Commun., 1705-1707 (1995).

 

112. 1,3,5-Tricyanobenzene.

D. S. Reddy, K. Panneerselvam, G. R. Desiraju, C. J. Carrell and H. L. Carrell.  

Acta Crystallogr., Section C, 51, 2352-2354 (1995).

 

113. The supramolecular concept as a bridge between organic, inorganic and organometallic crystal chemistry.

G. R. Desiraju

J. Mol. Str., 374, 191-198 (1996).

 

114. Hydrogen bonding in organometallic crystals – 3. Transition metal complexes containing amido groups.

K. Biradha, G. R. Desiraju, D. Braga and F. Grepioni.

Organometallics, 15, 1284-1295  (1996).

 

115. Supramolecular synthons in crystal engineering. Structure simplification, synthon robustness and supramolecular retrosynthesis.

V. R. Thalladi, B. S. Goud, V. J. Hoy,F. H. Allen, J. A. K. Howard and G. R. Desiraju 

Chem. Comm., 401-402 (1996).

 

116. First neutron diffraction analysis of an OH···π hydrogen bond. 2-Ethynyladamantan-2-ol

F. H. Allen, J. A. K. Howard, V. J. Hoy, G. R. Desiraju, D. S. Reddy and C.C.Wilson

J. Am. Chem. Soc., 118, 4081-4084  (1996).

 

117. Supramolecular synthons in crystal engineering. 3  – Solid state architecture and synthon robustness in some 2,3-dicyano-5,6-dichloro-1,4-dialkoxybenzenes. 

D. S. Reddy,Y. E. Ovchinnikov,O. V. Shishkin,Y. T. Struchkovand 

G. R. Desiraju

J. Am. Chem. Soc., 118, 4085-4089  (1996).

 

118. Supramolecular synthons in crystal engineering. 4 – Structure simplification and synthon interchangeability in some organic diamondoid solids. 

D. S. Reddy, D. C. Craig and G. R. Desiraju

J. Am. Chem. Soc., 118, 4090-4093  (1996).

 

119. Crystal engineering and molecular recognition – twin facets of supramolecular chemistry: G. R. Desiraju and C. V. K. Sharma in The Crystal as a Supramolecular Entity Ed. G. R. Desiraju, Perspectives in Supramolecular Chemistry, 2, Wiley, Chichester, 1996, pp 31-61.

 

120. Correlation of biological activity in β-lactam antibiotics with Woodward and Cohen structural parameters – A Cambridge Database study

A. Nangia, K. Biradha and G. R. Desiraju

J. Chem. Soc., Perkin Transac. 2, 943-954 (1996).

 

121. Review of general principles: G. R. Desiraju in Comprehensive Supramolecular Chemistry, Eds. D. D. MacNicol, R. Bishop, F. Toda, Volume 6, “Crystal Engineering”, Pergamon, New York, 1996, pp 1-22.

 

122. Organic solid state reactivity – past, present and future: G. R. Desiraju and B.S.Goud in Solid State Reactivity – Past, Present and Future, Ed. V. V. Boldyrev, Blackwell, Oxford, 1996, pp 223-236.

 

123. Hydrogen bonding in organometallic crystals. 4. M-H···O hydrogen-bonding  interactions.

D. Braga, F. Grepioni, E. Tedesco, K. Biradha and G. R. Desiraju 

Organometallics, 15, 2692-2699  (1996).

 

124. Agostic interactions in organometallic compounds. A Cambridge Structural Database study.

D. Braga,F. Grepioni,K. Biradha and G. R. Desiraju 

J. Chem. Soc., Dalton Trans., 3925-3930 (1996)

 

125. The CH···O hydrogen bond: structural implications and supramolecular design

G. R. Desiraju

Acc.Chem.Res. 29, 441-449 (1996).

 

126. The hydrogen bond CH donor and π-acceptor characteristics of three-membered rings

F. H. Allen, J. P. M. Lommerse, V. J. Hoy, J. A. K. Howard and 

G. R. Desiraju

Acta Crystallogr., Section B 52, 734-745 (1996).

 

127. Odd-even carbon atom disparity in organic compounds

J. A. R. P. Sarma, A. Nangia, G. R. Desiraju, E. Zass and J. D. Dunitz

Nature (London), 384, 320 (1996).

 

128. 2,6-Dibenzoylhydroquinone

K. Biradha, A. K. Katz, H. L. Carrell and G. R. Desiraju

Acta Crystallogr., Section C, 52, 2839-2841 (1996).

 

129. Design of a SHG-active crystal, 4-iodo-4-nitrobiphenyl. The role of supramolecular synthons.

J. A. R. P. Sarma, F. H. Allen, V. J. Hoy, J. A. K. Howard, R. Thaimattam, K. Biradha, and G. R. Desiraju

Chem. Comm., 101-102 (1997).

 

130. 2,4-Dinitro-trans-cinnamic acid

V. R. Thalladi, C. V. K. Sharma and G. R. Desiraju

Acta Crystallogr., Section C, 53, 227-229 (1997).

 

131. Crystal engineering and correspondence between molecular and crystal structures. Are 2- and 3-aminophenol anomalous?

F. H. Allen, V. J. Hoy, J. A. K. Howard, V. R. Thalladi and G. R. Desiraju 

J. Am. Chem. Soc., 119, 3477-3480 (1997)

 

132. Hydrogen bonding in organometallic crystals. 6. X-H···M hydrogen bonds and M···(H-X) pseudo-agostic bonds

D. Braga, F. Grepioni, E. Tedesco, K. Biradha and G. R. Desiraju 

Organometallics, 16, 1846-1856 (1997).

 

133. Even odder carbons

J. A. R. P. Sarma, A. Nangia, G. R. Desiraju, E. Zass and J. D. Dunitz

Nature (London), 387, 464 (1997).

 

134. CH···O hydrogen bonded multi-point recognition in molecular assemblies of dibenzylideneketones and 1,3,5-trinitrobenzenes.

K. Biradha, A. Nangia, G. R. Desiraju, C. J. Carrell and H. L. Carrell

J. Mater.Chem., 1111-1122 (1997)

 

135. Crystal engineering: solid state supramolecular synthesis

G. R. Desiraju

Curr. Opin. Solid State & Materials Science, 2, 451-454 (1997)

 

136. Designer crystals: intermolecular interactions, network structures and supramolecular synthons 

G. R. Desiraju 

Chem. Comm., 1475-1482 (1997)

 

137. Engineering of an octupolar non-linear optical crystal: tribenzyl isocyanurate

V. R. Thalladi, S. Brasselet, D. Bläser, R. Boese, J. Zyss, A. Nangia and G. R. Desiraju

Chem. Comm., 1841-1842 (1997).

 

138. Evidence for the characterisation of the CH···π interaction as a weak hydrogen bond: toluene and chlorobenzene solvates of 2,3,7,8-tetraphenyl-1,9,10-anthyridine

N. N. L. Madhavi, A. K. Katz, H. L. Carrell, A. Nangia and G. R. Desiraju

Chem. Comm., 1953-1954 (1997)

 

139. Crystal gazing: structure prediction and polymorphism

G. R. Desiraju

Science, 278, 404-405 (1997)

 

140. Reactivity of organic solids – retrospect and prospect

G. R. Desiraju

Solid State Ionics, 101-103, 839-842 (1997).

 

141. 2,6-Dibenzoyl-1,4-benzoquinone

K. Biradha, M. J. Zaworotko, A. Nangia and G. R. Desiraju

Acta Crystallogr., Section C, 53, 1653-1655 (1997).

 

142. The halogen···O(nitro) supramolecular synthon in crystal engineering: a combined crystallographic database and ab initio molecular orbital study

F. H. Allen, J. P. M. Lommerse, V. J. Hoy, J. A. K. Howard, G. R. Desiraju

Acta Crystallogr., Section B, 53, 1006-1016 (1997).

 

143. Hydrogen bonding in organometallic crystals – a survey

D. Braga, F. Grepioni and G. R. Desiraju

J. Organomet. Chem., 548, 33-43 (1997).

 

144. Molecular networks in the crystal structures of tetrakis-(4-iodophenyl)methane and (4-iodophenyl)triphenylmethane

R. Thaimattam, D. S. Reddy, F. Xue, T. C. W. Mak, A. Nangia and 

G. R. Desiraju

New J. Chem., 22, 143-148 (1998).

 

145. 4-(Triphenylmethyl) benzoic acid: a supramolecular wheel-and-axle host 

R. K. R. Jetti, S. S. Kuduva, D. S. Reddy, F. Xue, T. C. W. Mak, A. Nangia, G. R. Desiraju.

Tetrahedron Lett., 39, 913-916 (1998)

 

146. Crystal engineering: some further strategies.

A. Anthony, G. R. Desiraju, R. K. R.Jetti, S. S. Kuduva, N. N. L.Madhavi, A. Nangia, R. Thaimattam, V. R. Thalladi.

Crystal Engineering, 1, 1-18 (1998).

 

147. Trimethylisocyanurate and triethylisocyanurate

V. R. Thalladi, A. K. Katz, H. L. Carrell, A. Nangia and G. R. Desiraju

Acta Crystallogr., Section C, 54 86-89 (1998).

 

148. Crystal engineering of some 2,4,6-triaryloxy-1,3,5-triazines: octupolar non-linear materials

V. R. Thalladi, S. Brasselet, H. -C. Weiss, D. Bläser, A. K. Katz, H. L. Carrell, R. Boese, J. Zyss, A. Nangia and G. R. Desiraju

J. Am. Chem. Soc., 120, 2563-2577  (1998).

 

149. Distinction between the weak hydrogen bond and the van der Waals interaction

T. Steiner and G. R. Desiraju

Chem. Comm., 891-892 (1998).

 

150. Supramolecular synthons and pattern recognition

A. Nangia and G. R. Desiraju

Topics in Current Chemistry, Design of Organic Solids, Vol. 198 (ed. E.Weber)

57-95 (1998).

 

151. Crystal engineering and organometallic architecture

D. Braga, F. Grepioni and G. R. Desiraju, 

Chem. Rev., 98, 1375-1405 (1998).

 

152. Octupolar versus dipolar crystalline structures for nonlinear optics: a dual crystalline and propogative engineering approach

J. Zyss, S. Brasselet, V. R. Thalladi, G. R. Desiraju

J. Chem. Phys. 109, 658-669 (1998)

 

153. Interplay of strong and weak hydrogen bonding in molecular complexes of some 4,4’-disubstituted biphenyls with urea, thiourea and water

R. Thaimattam, D. S. Reddy,F. Xue, T. C. W.Mak, A. Nangia and 

G. R. Desiraju

J. Chem. Soc., Perkin Transac. 2, 1783-1789 (1998).

 

154. Synthesis, X-ray crystal structures and biological evaluation of some mono- and bicyclic 1,3-diazetidin-2-ones

P. S. Chandrakala, A. K. Katz, H. L. Carrell, P. R. Sailaja, A. R. Podile, 

A. Nangia and G. R. Desiraju,

J. Chem. Soc., Perkin Transac. 1, 2597-2609 (1998).

 

155. CH···F interactions in the crystal structures of some fluorobenzenes

V. R. Thalladi, H. -C.Weiss, D. Bläser, R. Boese, A. Nangia and 

G. R. Desiraju

J. Am. Chem. Soc., 120, 8702-8710  (1998).

 

156. Isostructurality in crystalline oxa-androgens. A case of COH···O and CH···O interaction mimicry and solid solution formation.

A. Anthony, M. Jaskólski, A. Nangia and G. R. Desiraju

Chem. Comm., 2537-2538 (1998).

 

157. Supramolecular structures – reason and imagination

A. Nangia and G. R. Desiraju

Acta Crystallogr., Section A, 54, 934-944 (1998).  

 

158. Supramolecular synthons mediated by weak hydrogen bonding. Forming linear molecular arrays via CCH···NC and CCH···O2N recognition.

R. Thaimattam, P. J. Langley, J. Hulliger and G. R. Desiraju

New J. Chem. 1307-1309 (1998).

 

159. 17,17-Ethylenedioxyandrost-4-ene-3,6-dione and 17,17-ethylenedioxyandrosta-1,4-diene-3,6-dione

A. Anthony, M. Jaskólski, A. Nangia and G. R. Desiraju

Acta Crystallogr., Section C, 54 1894-1898 (1998).

 

160. 5β-Androstan-3,17-dione

A. Anthony, M. Jaskólski, A. Nangia and G. R. Desiraju

Acta Crystallogr., Section C, 54 1898-1900 (1998).

 

161. Some current challenges in crystal engineering

A. Nangia and G. R.Desiraju, in Supramolecular Engineering of Synthetic Metallic Materials: Conductors and Magnets , Eds. J. Veciana, C. Rovira, D.B. Amabilino, NATO ASI Series, Kluwer, Dordrecht, 1999, pp 1-21.

 

162. Weak hydrogen bonds in supramolecular synthesis

A. Nangia and G. R.Desiraju, in Current Challenges on Large Supramolecular Assemblies, Ed. G. Tsoucaris, NATO ARW Series, Kluwer, Dordrecht, 1999, pp 193-208.

 

163. Axial and equatorial conformations of penicillins, their sulfoxides and sulfones: The role of N–H···S and C–H···O hydrogen bonds

A. Nangia and G. R. Desiraju

J. Mol. Str., 474, 65-79 (1999). 

 

164. Cubane carboxylic acids. Crystal engineering considerations and the role of CH···O hydrogen bonds in determining O–H···O networks

S. S. Kuduva, D. C. Craig, A. Nangia and G. R. Desiraju

J. Am. Chem. Soc., 121, 1936-1944 (1999). 

 

165. Crystal structure of sodium glutaconaldehyde tetrahydrate, 

Na2(C5H5O2)2. 4H2O

M. Muthuraman, Y. le Fur, J. -F. Nicoud, R. Masse and G. R. Desiraju

Z. Kristallogr. NCS, 214, 283-284 (1999).

 

166. Pseudopolymorphism. Occurrences of hydrogen bonding organic solvents in molecular crystals

A. Nangia and G. R. Desiraju

Chem. Comm., 605-606 (1999). 

 

167. Tri-p-tolyl-1,3,5-triazine

V. R. Thalladi, M. Muthuraman, A. Nangia and G. R. Desiraju

Acta Crystallogr., Section C, 55 698-700 (1999). 

 

168. Pseudopolymorphs of 3,5-dinitrosalicylic acid

V. R. Senthil Kumar, S. S. Kuduva and G. R. Desiraju

J. Chem. Soc., Perkin Transac. 2, 1069-1073 (1999). 

 

169. Current challenges in crystal engineering

G. R. Desiraju, in Implications of Molecular and Materials Structure for New Technologies, Eds. J. A. K. Howard, F. H. Allen and G. P. Shields, Kluwer, Dordrecht, 1999, pp 321-339.

 

170. Steering non-centrosymmetry into the third dimension. Crystal engineering of an octupolar nonlinear optical crystal.

V. R. Thalladi, R. Boese, S. Brasselet, I. Ledoux, J. Zyss, R. K. R. Jetti and 

G. R. Desiraju

Chem. Comm., 1639-1640 (1999). 

 

171. When is a polymorph not a polymorph? Helical trimeric O–H···O synthons in trans-1,4-diethynyl-1,4-cyclohexanediol.

C. Bilton, J. A. K. Howard, N. N. L. Madhavi, A. Nangia, G. R. Desiraju and F. H. Allen

Chem. Comm., 1675-1676 (1999). 

 

172. Sodium 4-nitrophenolate 4-nitrophenol dihydrate crystal: a new herringbone structure for quadratic nonlinear optics

M. Muthuraman, M. Bagieu-Beucher, R. Masse, J. -F. Nicoud and 

G. R. Desiraju

J. Mater. Chem, 1471-1474 (1999).

 

173. Engineering of nonlinear optical crystals displaying a quasi perfect polar alignment of chromophores

M. Muthuraman, Y. LeFur, M. Bagieu-Beucher, R. Masse, J. -F. Nicoud and G. R. Desiraju

J. Mater. Chem, 2233-2239 (1999).

 

174. 4-(Triphenylmethyl)phenol-Triphenylphosphine oxide (1/1)

R. K. R.Jetti, H.-C.Weiss, V. R. Thalladi, R. Boese, A. Nangia and 

G. R. Desiraju

Acta Crystallogr., Section C, 55, 1530-1533 (1999). 

 

175. Polymorphism and Pseudopolymorphism in Organic Crystals. A Cambridge Structural Database Study

J. A. R. P. Sarma and G. R.Desiraju, in Crystal Engineering. The Design and Applications of Functional Solids, Eds. K.R.Seddon and M.Zaworotko, Kluwer, Dordrecht, 1999, pp 325-356.

 

176. Diversity and certainty – Database research in crystal engineering

G. R. Desiraju, in Crystal Engineering: From molecules and crystals to materials, Eds. D. Braga et al., Kluwer, Dordrecht, 1999, pp 229-241.

 

177. The indecisive role of the C–F group in crystal packing—an analysis of the crystal structures of the tetrahalogenated hydroquinones and -hydroquinone

V. R. Thalladi, H.-C.Weiss, R. Boese, A. Nangia and G. R. Desiraju

Acta Crystallogr., Section B, 55 1005-1013 (1999).

 

178. The even/odd disparity in organic compounds

G. R. Desiraju, J. D. Dunitz, A. Nangia, J. A. R. P. Sarma and E. Zass

Helv. Chim. Acta, 83, 1-15 (2000).

 

179. Establishing structural repetitivity in systems with interaction interference: crystal engineering in the gem-alkynol family

N. N. L. Madhavi, C. Bilton, J. A. K. Howard, F. H. Allen, A. Nangia and 

G. R. Desiraju 

New J. Chem., 24, 1-4 (2000).

 

180. Molecular dynamics study of the solid state photoreactivity of 3- and 4-cyano-trans-cinnamic acids.

J. A. R. P. Sarma, B. Chaudhuri and G. R. Desiraju

Indian. J. Chem., Sect. A, 39, 253-261 (2000). 

 

181. C–H···O and C–H···N hydrogen bond networks in the crystal structures of some 1,2-dihydro-N-aryl-4,6-dimethylpyrimidin-2-ones

M. Muthuraman, Y. LeFur, M. Bagieu-Beucher, R. Masse, J. -F. Nicoud, 

S. George, A. Nangia and G. R. Desiraju

J. Solid State Chem., 152,221-228 (2000).

182. The supramolecular synthon in crystal engineering

G. R. Desiraju in, Stimulating concepts in chemistry, Eds. S. Shibasaki, J. F. Stoddart, F. Vögtle, Wiley, Chichester, 2000, pp. 293-308.

 

183. tris-(2-Cyanoethyl) isocyanurate 

P. K. Thallapally and G. R. Desiraju

Acta Crystallogr., Section C, 56, 572-573 (2000). 

 

184. Three dimensional Quantitative Structural Activity Relation (3D QSAR) studies of some 1,5-diarylpyrazoles: Analogue based design of selective cyclooxygenase-2 inhibitors.

G. R. Desiraju, B. Gopalakrishnan, R. K. R. Jetti, D. Raveendra, 

J. A. R. P. Sarma and H. S. Subramanya

Molecules, 5, 945-955 (2000).

 

185. Shape and size effects in the crystal structures of complexes of 1,3,5-trinitrobenzene with some trigonal donors: the benzene–thiophene exchange rule.

P. K. Thallapally, K. Chakraborty, H. L. Carrell, S. Kotha and G. R. Desiraju

Tetrahedron, 56, 6721-6728 (2000).

 

186. Benzyltriphenylphosphonium glutaconaldehyde

M. Muthuraman, J. -F. Nicoud, R. Masse and G. R. Desiraju

Acta Crystallogr., Section C, 56 986-988 (2000). 

 

187. Hydrogen bonding and other intermolecular interactions in organometallic crystals

G. R. Desiraju

J. Chem. Soc., Dalton Transac., 3745-3752 (2000). 

 

188. Melting points of meta and para isomers of 4-anisylpinacolone

S. S. Kuduva, J. A. R. P. Sarma, A. K. Katz, H. L. Carrell and G. R. Desiraju

J. Phys. Org. Chem. 13, 719-728, (2000).

 

189. 4-Ethynyl-4-hydroxy-cyclohexanone and 4-ethynyl-4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-diene-1-one

C. Bilton, J. A. K. Howard, N. N. L. Madhavi, G. R. Desiraju and F. H. Allen

Acta Crystallogr., Section C, 56, 1356-1358 (2000).

 

190. Racemic 1,2-diphenyl-3-butyn-2-ol

N. N. L. Madhavi, G. R. Desiraju, C. Bilton, J. A. K. Howard and F. H. Allen

Acta Crystallogr., Section C, 56, 1359-1360(2000) 

 

191. Crystal engineering in the gem-alkynol family: interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diols

N. N. L. Madhavi, G. R. Desiraju, C. Bilton, J. A. K. Howard and F. H. Allen

Acta Crystallogr., Section B, 56, 1063-1070, (2000). 

 

192. Crystal engineering in the gem-alkynol family: synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O–H···O hydrogen bonds

C. Bilton, J. A. K. Howard, N. N. L. Madhavi, A. Nangia, G. R. Desiraju, 

F. H. Allen and C. C. Wilson

Acta Crystallogr., Section B, 56, 1071-1079, (2000). 

 

193. Halogen trimer synthons in crystal engineering: low temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene

C. K. Broder, J. A. K. Howard, D. A. Keen, C. C. Wilson, F. H. Allen, 

R. K. R. Jetti, A. Nangia and G. R. Desiraju

Acta Crystallogr., Section B, 56, 1080-1084, (2000). 

 

194. The All-Chemist (Millennium Essay)

G. R. Desiraju

Nature (London), 408, 407 (2000).

 

195. Crystallisation of pseudopolymorphs of some gamboge pigments. Pyridine, dimethylformamide and dimethylsulfoxide solvates of morellic acid, gambogic acid and guttiferic acid. 

A. Anthony and G. R. Desiraju

Supramolecular Chemistry, 13, 11-23 (2001)

 

196. Hydrogen bonding in two tetracyclic indole alkaloids

A. K. Varma, A. Nangia, G. R. Desiraju, V. S. Giri and P. Jaisankar

Acta Crystallogr., Section C, 57, 97-99(2001) 

 

197. Crystal engineering of primary cubanecarboxamides. Repetitive formation of an unexpected N–H...O hydrogen bonded network

S. S. Kuduva,D. Bläser, R. Boese and G. R. Desiraju

J. Org. Chem., 66, 1621-1626 (2001).

 

198. Diamond and square grid networks in the same structure. Crystal engineering with the iodo∙∙∙nitro supramolecular synthon.

R. Thaimattam, C. V. K. M. Sharma, A. Clearfield and G. R. Desiraju

Cryst. Growth Des., 1, 103-106(2001).

 

199. Nonlinear optical crystals designed with 4-nitrophenolate chromophores: An engineering route using a multipdipolar chromophore, 3-hydroxy-2,4,6-trinitrophenolate.

M. Muthuraman, J. -F. Nicoud, R. Masse and G. R. Desiraju

Mol. Cryst. Liq. Cryst., 356, 1-13 (2001). 

 

200. Area correction of multiatom acceptor hydrogen bond frequency distributions.

Z. Ciunik and G. R. Desiraju

Chem. Comm., 703-704 (2001).

 

201. Molecular Complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by 

O–H···O and C–H···O hydrogen bonds for nonlinear optics

M. Muthuraman, R. Masse, J. -F. Nicoud and G. R. Desiraju

Chem. Mater., 13, 1473-1479 (2001)

202. Inclusion compounds of tetrakis-(4-nitrophenyl)methane: C–H⋅⋅⋅O networks, pseudopolymorphism and structural transformations

R. Thaimattam, X. Feng, J. A. R. P. Sarma, T. C. W. Mak and G. R. Desiraju

J. Am. Chem. Soc., 123, 4432-4445 (2001). 

 

203. Crystal structures and packing of 4-cyanocubane carboxylic acid, its ethyl ester and the solid solution of 1,4-dicyanocubane and 1,4-dibromocubane

S. S. Kuduva,D. Bläser, R. Boese and G. R. Desiraju

Struct. Chem., 12, 259-266 (2001).

 

204. Matching of molecular and supramolecular symmetry. An exercise in crystal engineering.

P. K. Thallapally, K. Chakraborty, A. K. Katz, H. L. Carrell, S. Kotha and 

G. R. Desiraju

CrystEngComm, 31, (2001).

 

205. Chemistry beyond the molecule

G. R. Desiraju, 

Nature (London), 412,397-400 (2001).

206. Computer aided design of selective COX-2 inhibitors: comparative molecular field analysis and docking studies of some 3,4-diaryloxazolone derivatives

G. R. Desiraju, J. A. R. P. Sarma, D. Raveendra, B. Gopalakrishnan, R. Thilagavathi, M. E. Sobhia and H. S. Subramanya

J. Phys. Org. Chem., 14, 481-487 (2001).

 

207. Crystal engineering in the gem-alkynol family. The key role of water in the structure of 2,3,5,6-tetrabromo-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol monohydrate

C. Bilton, J. A. K. Howard, N. N. L. Madhavi, G. R. Desiraju, F. H. Allen, 

D. A. Keen and C. C. Wilson

Acta Crystallogr., Section B, 57, 560-566 (2001).

 

208. Crystal structure of N,N’-di-5-nitrosalicylidene-(R,R)-1,2-cyclohexanediamine, C20H20N4O6

M. Muthuraman, J. -F. Nicoud, R. Masse and G. R. Desiraju

Z. Kristallogr. NCS, 216, 381-382 (2001).

 

209. Crystal structure of N,N’-di-5-nitrosalicylidene-(R,S)-1,2-cyclohexanediamine, C20H20N4O6

M. Muthuraman, J. -F. Nicoud, R. Masse and G. R. Desiraju

Z. Kristallogr. NCS, 216, 383-384 (2001).

 

210. Crystal engineering. Outlook and prospects.

G. R. Desiraju

Curr. Sci., 81, 1038-1042 (2001).

[Special Issue on Science in the Third World]

 

211. Steroidal aromatase inhibitors. Model receptor surfaces and 3D QSAR.

R. K. R. Jetti, A. Anthony, A. Nangia and G. R. Desiraju

Ind. J. Chem. Section B, 40, 1054-1062 (2001).

[Ghatak Commemoration Issue]

 

212. Unusually long cooperative chain of seven hydrogen bonds. An alternative packing type for symmetrical phenols.

P. K. Thallapally, A. K. Katz, H. L. Carrell and G. R. Desiraju

Chem. Comm. 344-345 (2002).

 

213 3D-QSAR Studies of some [[1-Aryl(or Benzyl)-1-(benzenesulphonamido)methyl ] phenyl ] alkanoic acid derivatives as Thromboxane A2 Receptor Antagonists
K. V. V. M. Sairam, J. A. R. P. Sarma and G. R. Desiraju
Drug Design and Discovery, 18, 45-49 (2002).

 

214. Topological Equivalences between Organic and Coordination Polymer Crystal Structures: An organic ladder formed with three–connected molecular and supramolecular synthons

S. Aitipamula, P. K. Thallapally, R. Thaimattam, M. Jaskolski and 

G. R. Desiraju

Org. Lett., 4, 921-924 (2002)

 

215. The supramolecular synthon approach to crystal structure prediction

J. A. R. P. Sarma and G. R. Desiraju

Cryst. Growth Des., 2, 93-100(2002)

 

216. 1,3-Dibromo-2,4,6-trinitrobenzene (DBTNB). Crystal engineering and perfect polar alignment of two-dimensional hyperpolarizable chromophores

P. K. Thallapally, G. R. Desiraju, M. Bagieu-Beucher, R. Masse, C. Bourgogne and J. F. Nicoud

Chem. Comm. 1052-1053 (2002).

 

217. Hydrogen bridges in crystal engineering. Interactions without borders.

G. R. Desiraju

Acc. Chem. Res., 35, 565-573 (2002)

 

218. Supramolecular synthons based on N–H⋅⋅⋅N and C–H⋅⋅⋅O hydrogen bonds. Crystal engineering of a helical structure with 5,5-diethylbarbituric acid.

P. Vishweshwar, R. Thaimattam, M. Jaskolski and G. R. Desiraju

Chem. Comm. 1830-1831 (2002).

 

219. Crystallography. Quo vadis?

G. R. Desiraju

Z. Krist., 217, 297-298 (2002).

[125 Year Commemoration Issue]

 

220. ‘Bond free’.

G. R. Desiraju

CrystEngComm, 4,499 (2002). 

 

221. Innovation in crystal engineering

D. Braga, G. R. Desiraju, J. S. Miller, A. G. Orpen and S. L. Price

CrystEngComm, 4,500-509 (2002). 

 

222. Crystal structures and packing of 2,4,6-tris(4-fluorophenoxy)-1,3,5-triazine and 2,4,6-tris(3,4-dimethylphenoxy)-1,3,5-triazine. New materials for octupolar nonlinear optics.

R. Boese, G. R. Desiraju, R. K. R. Jetti, M. T. Kirchner, I. Ledoux, 

V. R. Thalladi, and J. Zyss

Struct. Chem. 13, 321-328 (2002).

[Mackay Commemorative Issue]

 

223. Cryptic crystallography

G. R. Desiraju

Nature Materials, 1, 77-79 (2002).

 

224. A 1:1 molecular complex of bis(4-aminophenyl)disulfide and 

4-aminothiophenol

V. R. Vangala, G. R. Desiraju, R. K. R. Jetti, D. Bläser and R. Boese

Acta Crystallogr., Section C, 58, o635-o636 (2002).

 

225. 3,5-Dinitrosalicylic acid–phenazine (1/1)

V. S. Senthil Kumar, S. S. Kuduva and G. R. Desiraju

Acta Crystallogr., Section E, 58, o865-o866 (2002).

 

226. Computer aided design of selective COX-2 inhibitors: Comparative Molecular Field Analysis (CoMFA), Comparative Similarity Indices Analysis (CoMSIA) and docking studies of some 1,2-diarylimidazole derivatives.

G. R. Desiraju, B. Gopalakrishnan, R. K. R. Jetti, A. Nagaraju, D. Raveendra, 

J. A. R. P. Sarma, M. E. Sobhia and R. Thilagavathi, 

J. Med. Chem. 45, 4847-4857 (2002).

 

227. CH···O Hydrogen Bonds in Molecular Complexes of 1,3,5-Trinitrobenzene with some N-Heterocycles.

P. K. Thallapally, A. K. Katz, H. L. Carrell, G. R. Desiraju

CrystEngComm, 5, 87-92 (2003)

http://xlink.rsc.org/?DOI=b301677c

 

228. Crystal engineering. Retrospect and prospect.

G. R. Desiraju

J. Ind. Chem. Soc., 80, 151-155 (2003)

 

229. Searching for a polymorph. Second form of 6-amino-2-phenylsulfonylimino-1,2-dihydropyridine.

R. K. R. Jetti, R. Boese, J. A. R. P. Sarma, L. S. Reddy, P. Vishweshwar and G. R. Desiraju

Angew. Chem. Int. Ed., 42, 1963-1967 (2003)

 

230. Crystal: In search of clarity (Concept essay)

G. R. Desiraju

Nature, 423, 485 (2003) 

 

231. Dilemmas in crystallisation. The ‘unusual’ behaviour of 1,5-dichloro-trans-9,10-diethynyl-9,10-dihydroanthracene-9,10-diol and the more ‘normal’ behaviour of its pseudopolymorphs with dipolar aprotic solvents.

  R. Banerjee, G. R. Desiraju, R. Mondal,A. S. Batsanov, C. K. Broder and 

J. A. K. Howard

Helv. Chim. Acta, 86, 1339-1351 (2003)

[Dunitz Commemoration Issue]

 

232. Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines

A. Dey, R. K. R. Jetti, R. Boese and G. R. Desiraju

CrystEngComm 5, 248-252 (2003)

 

233. Crystal engineering. From molecules to materials. 

G. R. Desiraju

J. Mol. Str., 656, 5-15 (2003)

[Achim Müller Commemoration Issue]

 

234. Coupling octupoles in crystals: the case of the 1,3,5-trinitrobenzene-triphenylene 1:1 molecular co-crystal

J. Zyss, I. Ledoux-Rak,H. -C. Weiss,D. Bläser,R. Boese, P. K. Thallapally, V. R. Thalladi and G. R. Desiraju

Chem. Mater., 15, 3063-3073 (2003)

 

235. Stereoelectronic effects of substituent groups in the solid state. Crystal chemistry of some cubanecarboxylic and phenylpropiolic acids.

D. Das, R. K. R. Jetti, R. Boese and G. R. Desiraju

  Cryst. Growth & Des., 3, 675-681 (2003)

 

236. Design of EGFR Kinase Inhibitors: A Ligand Based Approach and its Confirmation with Structure Based Studies.

A. Vema, S. K. Panigrahi, G. Rambabu, B. Gopalakrishnan, J. A. R. P. Sarma and G. R. Desiraju

Bioorg. Med. Chem., 11, 4643-4653 (2003).

 

237. Square Networks based on the Br···NO2 Supramolecular Synthon

P. K. Thallapally, S. Basavoju, G. R. Desiraju, M. Bagieu-Beucher, R. Masse, and J. –F. Nicoud

Curr. Sci., 85, 995-1001 (2003)

[Ramaseshan Commemorative Issue]

 

238. Five new pseudopolymorphs of sym-trinitrobenzene

R. K. R. Jetti, R. Boese, P. K. Thallapally, and G. R. Desiraju

Cryst. Growth & Des. 3, 1033-1040(2003)

 

239. Multiple molecules in the crystallographic asymmetric unit. An alternative mode of close packing of networks of rigid hydrogen bonded molecules.

S. Aitipamula, G. R. Desiraju, M. Jaskólski, A. Nangia, and R.  Thaimattam

CrystEngComm, 5, 447-450 (2003)

240. Crystal and co-crystal

G. R. Desiraju 

CrystEngComm, 5, 466-467 (2003)

 

241. Correspondence between molecular functionality and crystal structures. Supramolecular chemistry of a family of homologated aminophenols

V. R. Vangala,B. R. Bhogala, A. Dey,G. R. Desiraju,C. K. Broder, P. S. Smith, R. Mondal, and J. A. K. Howard

J. Am. Chem. Soc. 125, 14495-14509 (2003).

 

242. Database study of N–H∙∙∙O, O–H∙∙∙O and C–H∙∙∙O hydrogen bonds in protein–ligand complexes

S. Sarkhel and G. R. Desiraju

Proteins: Structure, Function and Bioinformatics, 54, 247-259 (2004)

 

243. Polymorphism of 1,3,5-trinitrobenzene induced by trisindane additive

P. K. Thallapally, R. K. R. Jetti, A. K. Katz, H. L. Carrell, K. Singh, K.  Lahiri, S. R. Kotha, R. Boese and G. R. Desiraju

Angew. Chem. Int. Ed. 43, 1149-1155 (2004).

 

244. Gauche and staggered forms of diethylamine in solvates of 1,5-dichloro-cis-9,10-diethynyl-9,10-dihydroanthracene-9,10-diol. A case of conformational pseudopolymorphism?

R. Mondal, J. A. K. Howard, R. Banerjee, G. R. Desiraju

Chem. Comm., 644-645 (2004)

 

245. Homology modelling in protein structure prediction:Epidermal Growth Factor Receptor kinase domain

S. K. Panigrahi and G. R. Desiraju

Natnl. Acad. Sci. Lett., 27, 1-12 (2004).

 

246. Host-guest and network structures of some tetraphenylmethane derivatives

S. Basavoju, S. Aitipamula,G. R. Desiraju 

CrystEngComm., 6, 120-125 (2004)

 

247. A 1:1 molecular complex of 4-aminocyclohexanol and (4-hydroxycyclohexyl)-carbamic acid

A. Dey, G. R. Desiraju, R. Mondal, J. A. K. Howard

Acta Crystallogr., Sect. E, 60, o857-o859 (2004).

 

248. Hydrogen Bonding

G. R. Desiraju

Encyclopedia of Supramolecular Chemistry (Eds. J. L. Atwood and J. Steed)

Marcel Dekker, New York, 2004, 1, pp 658-665.

http://www.dekker.com/servlet/product/productid/E-ESMC

 

249. Organic chlorine as a hydrogen bridge acceptor. Evidence for the existence of intramolecular O–H…Cl–C interactions in some gem-alkynols.

R. Banerjee, G. R. Desiraju, R. Mondal, J. A. K. Howard

Eur. J. Chem., 10, 3373-3383 (2004).

 

250. A novel saturated hydrogen bridge architecture in supraminols

B. R. Bhogala,V. R. Vangala,P. S. Smith, J. A. K. Howard, G. R. Desiraju

Cryst. Growth & Des., 4, 647-649 (2004).

 

251. Structural variations and polymorphism of some derivatives of 6-amino-2-phenylsulfonylimino-1,2-dihydropyridine

M. T. Kirchner, L. S. Reddy, G. R. Desiraju, R. K. R. Jetti, R. Boese

Cryst. Growth & Des., 4, 701-709 (2004).

 

252. Midsummer madness (Turning Point Essay)

G. R. Desiraju

Nature, 431, 25 (2004) 

 

253. Proton transfer and N(+)–H⋅⋅⋅S(–) hydrogen bonds in the crystal structure of 4-aminothiophenol 

R. K. R. Jetti, R. Boese, T. S. Thakur,V. R. Vangala,G. R. Desiraju

Chem. Comm., 2526-2527  (2004)

 

254. Crystal engineering in the aminophenol family. Novel carborundum network in a supramolecular homologous series.

A. Dey, G. R. Desiraju,R. Mondal, J. A. K. Howard

Chem. Comm., 2528-2529  (2004)

 

255. Counterpoint: What’s in a name?

G. R. Desiraju

Cryst. Growth & Des., 4, 1089-1090 (2004). 

 

256. Supramolecular equivalence of ethynyl, chloro, bromo and iodo groups. A comparison of the crystal structures of some 4-phenoxyanilines.

A. Dey and G. R. Desiraju

CrystEngComm., 6, 642-646 (2004).

 

257. Dianilinediphenol molecular complexes based on supraminol recognition

V. R. Vangala, R. Mondal, C. K. Broder, J. A. K. Howard, G. R. Desiraju

Cryst. Growth & Des., 5, 99-104 (2005). 

 

258. Chemistry. The Middle Kingdom.

G. R. Desiraju

Curr. Sci., 88, 374-380 (2005).

 

259. Saccharin as a salt former. Enhanced solubilities of saccharinates of active pharmaceutical ingredients.

P. M. Bhatt, N. V. Ravindra, R. Banerjee and G. R. Desiraju 

Chem. Comm., 1073-1075 (2005).

 

260. 2-Methylsulfanylnicotinic acid

S. Basavoju,  C. M. Reddy and G. R. Desiraju

Acta Crystallogr., Sect. E, 61, o822-o823 (2005). 

 

261. Structural studies of the system (Na+)(saccharinate)(H2O)n. A model for 

crystallization. 

R. Banerjee, P. M. Bhatt, M. T. Kirchner and G. R. Desiraju. 

Angew. Chem. Int. Ed., 44, 2515-2520 (2005). 

[VIP]

 

262. Virtual Screening of 4-Anilinoquinazoline Analogs as EGFR Kinase Inhibitors: Importance of Hydrogen Bonds in the Evaluation of Poses and Scoring Functions.

V. Aparna, G. Rambabu, S. K. Panigrahi, J. A. R. P. Sarma and G. R. Desiraju

J. Chem. Inf. Model., 45, 725-738 (2005).

 

263. Sorting of polymorphs based on mechanical properties. Trimorphs of 6-chloro-2,4-dinitroaniline.

C. M. Reddy, S. Basavoju and G. R. Desiraju

Chem. Comm., 2439-2441 (2005).

 

264. Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers

A. Dey and G. R. Desiraju

Chem. Comm., 2486-2488 (2005).

 

265. Rare syn-anti catemer in 4-nitrophenylpropiolic acid 

D. Das, G. R. Desiraju, R. K. R. Jetti and R. Boese

Acta Crystallogr., Sect. E, 61, o1588-o1589 (2005).

266. The C–H…O and other weak hydrogen bonds. From crystal engineering to virtual screening.

G. R. Desiraju

Chem. Comm., 2995-3001 (2005).

[Focus article to commemorate 40 years of the journal]

 

267. Structural basis for bending of organic crystals

C. M. Reddy, R. C. Gundakaram, S. Basavoju, M. T. Kirchner, K. A. Padmanabhan and G. R. Desiraju

Chem. Comm., 3945-3947 (2005).

 

268. Rational Design of TMP Kinase Inhibitors as Antitubercular agents based on docking, pharmacophore and 3D QSAR studies

B. Gopalakrishnan, V. Aparna, J. Jeevan, M. Ravi, G. R. Desiraju

J. Chem. Inf. Model., 45, 1101-1108 (2005).

 

269. Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures

A. Dey,M. T. Kirchner, V. R. Vangala, G. R. Desiraju, R. Mondaland J. A. K. Howard

J. Am. Chem. Soc., 127, 10545-10559 (2005)

 

270. Saccharin salts of active pharmaceutical ingredients, their crystal structures and increased water solubilities.

R. Banerjee, P. M. Bhatt, N. V. Ravindra, and G. R. Desiraju 

Cryst. Growth & Des., 5, 2299-2309(2005). 

 

271. Five varieties of hydrogen bonds in 1-formyl-3-thiosemicarbazide: An electron density study. 

P. Munshi, T. S. Thakur, T. N. Guru Rowand G. R. Desiraju 

Acta Crystallogr. Sect B, 62, 118-127 (2006).

 

272. 3D-QSAR studies on antitubercular thymidine monophosphate kinase inhibitors based on different alignment methods

V. Aparna, J. Jeevan, M. Ravi, G. R. Desiraju and B. Gopalakrishnan

Bioorg. Med. Chem. Lett., 16, 1014-1020 (2006).

 

273. Isostructurality, Polymorphism and Mechanical Properties of Some Hexahalogenated Benzenes. The Nature of Halogen···Halogen Interactions

C. M. Reddy, M. T. Kirchner, R. C. Gundakaram, K. A. Padmanabhan, and 

G. R. Desiraju

Chem. Eur. J., 12, 2222-2234 (2006).

 

274. Misassigned C–H∙∙∙Cu agostic interaction in a copper (II) ephedrine derivative is actually a weak, multicentred hydrogen bond

T. S. Thakur and G. R. Desiraju

Chem. Comm. 552-554 (2006).

 

275. Synthon evolution and unit cell evolution during crystallisation. A study of symmetry-independent molecules (Z΄>1) in crystals of some hydroxy compounds

D. Das, R. Banerjee, R. Mondal, J. A. K. Howard, R. Boese and 

G. R. Desiraju 

Chem. Comm., 555-557 (2006).

 

276. Synthon Robustness and Solid State Architecture in Substituted gem-Alkynols

R. Banerjee, R. Mondal, J. A. K. Howard and G. R. Desiraju

Cryst. Growth Des, 6, 999-1009 (2006).

 

277. A 1:1 molecular complex of 4-methylpyridine N-oxide and saccharin

B. K. Saha, R. Banerjee, A. Nangia and G. R. Desiraju

Acta Crystallogr., Sect. E, 62, o2283-o2284 (2006).

 

278. Solid state architecture of saccharin salts of some diamines.

R. Banerjee, B. K. Saha and G. R. Desiraju

Acta Crystallogr., Sect. C, 62, o346-o349 (2006). 

 

279. Ligand coordinate analysis of SC-558 from the active 

site to the surface of COX-2: A molecular dynamics study

K. V. V. M. Sairam, G. Rambabu, J. A. R. P. Sarma and G. R. Desiraju

J. Chem. Inf. Model., 46, 1784-1794 (2006).

 

280. Form 1 of desloratadine, a tricyclic antihistamine
P. M. Bhatt and G. R. Desiraju

Acta Crystallogr., Sect. C, 62, o362-o363 (2006).

 

281. Dimorphs of 4'-amino-4-hydroxy-2’-methylbiphenyl:  Assessment of likelihood of polymorphism in flexible molecules

A. Dey and G. R. Desiraju

CrystEngComm., 8,478-482 (2006).

 

282. Packing modes in some mono- and disubstituted phenylpropiolic acids. Repeated occurrence of the rare syn,anti-catemer.

D. Das and G. R. Desiraju

Chem. Asian J., 1, 231-244 (2006). 

[VIP]

 

283. Solvates of sildenafil saccharinate. A new host material.

R. Banerjee, P. M. Bhatt and G. R. Desiraju

Cryst. Growth Des, 6, 1468-1478 (2006).

 

284. Effects of the substituent on the formation of dimers and catemers in phenylpyruvic acids

CrystEngComm, 8, 674-679 (2006).

 

285. Synthon robustness in saccharinate salts of some substituted pyridines

R. Banerjee, B. K. Saha and G. R. Desiraju

CrystEngComm, 8, 680-685 (2006).

 

286. Intellect and intuition (Retrospect essay)

G. R. Desiraju

Nature, 443, 398 (2006).

 

287. Crystal structure prediction with the supramolecular synthon approach: experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction

A. Dey, N. N. Pati and G. R. Desiraju

CrystEngComm, 8, 751-755 (2006).

 

288. Crystallographic studies of supramolecular synthons in amine solvates of trans-1,5-dichloro-9,10-diethynyl-9,10-dihydroanthracene-9,10-diol

R.Mondal, J. A. K. Howard, R. Banerjee and G. R. Desiraju

Cryst. Growth Des, 62507 - 2516 (2006).

 

289. Bending and brittle organic crystals: structure-property correlations 

C. M. Reddy, K. A. Padmanabhan and G. R. Desiraju

Cryst. Growth Des, 6, 2720-2731 (2006).

 

290. On the occurrence of multiple molecules in the crystal asymmetric unit (Z’>1) G. R. Desiraju

CrystEngComm, 9, 91-92 (2006)

 

291. On the polymorphism of aspirin

A. D. Bond, R. Boese and G. R. Desiraju

Angew. Chem. Int. Ed. 46, 615-617 (2007).

 

292. On the polymorphism of aspirin: crystalline aspirin as intergrowths of two “polymorphic” domains

A. D. Bond, R. Boese and G. R. Desiraju

Angew. Chem. Int. Ed. 46, 618-622 (2007).

 

293. 5,5-Dibenzylbarbituric acid monohydrate 

P. M. Bhatt and G. R. Desiraju

Acta Crystallogr., Sect. E, 63, o771-o772 (2007). 

294. Hexaiodobenzene: a redetermination at 100 K

S. Ghosh, C. M. Reddy and G. R. Desiraju

Acta Crystallogr., Sect. E, 63, o910-o911 (2007).

295. Strong and weak hydrogen bonds in the protein–ligand interface

S. K. Panigrahi and G. R. Desiraju

Proteins, 67, 128-141 (2007).

 

296. Theoretical investigation of C−H∙∙∙M interactions in organometallic complexes: A natural bond orbital (NBO) study.

T. S. Thakur and G. R. Desiraju

J. Mol. Str. (THEOCHEM), 810, 143-154 (2007).

 

297. Tautomeric polymorphism in omeprazole

P. M. Bhatt and G. R. Desiraju

Chem. Comm, 2057-2059 (2007).

 

298. What is a polymorph? Aspirin as a case study.

A. D. Bond, R. Boese and G. R. Desiraju

Am. Pharm. Rev. May-June issue, 1-4 (2007)

 

299. Crystal structure of Na4Li4(saccharinate)8.14H2O and its comparison with other alkali metal saccharinates

P. M. Bhatt and G. R. Desiraju

J. Mol. Str., 871, 73-79 (2007). 

 

300. Insights into ligand selectivity in nitric oxide synthase isoforms: a molecular dynamics study

V. Aparna, G. R. Desiraju and B. Gopalakrishnan, 

J. Mol. Graphics Model., 26, 457-470 (2007).

 

301. Strong and weak hydrogen bonds in drug–DNA complexes: a statistical analysis

S. K. Panigrahi and G. R. Desiraju

J. Biosciences, 32, 677-691 (2007).

 

302. Crystal Engineering : A holistic approach

G. R. Desiraju

Angew. Chem. Int. Ed., 46, 8342-8356 (2007).

 

303. Polymorphism. The same and not quite the same

G. R. Desiraju

Cryst. Growth. Des., 8, 3-5 (2008).

 

304. Van der Waals and polar distances in crystals. Quantifying supramolecular synthons.

P. Ganguly and G. R. Desiraju

Chem. Asian J., 3, 868-880 (2008).

 

305. Crystal structure prediction of a co-crystal using a supramolecular synthon approach: 2-methylbenzoic acid – 2-amino-4-methylpyrimidine

T. S. Thakur and G. R. Desiraju

Cryst. Growth Des., 8, 4031-4044 (2008).

 

306. Co-crystal formation and the determination of absolute configuration

P. M. Bhatt and G. R. Desiraju

CrystEngComm, 10, 1747-1749 (2008).

 

307. Co-crystals of the anti-HIV Drugs lamivudine and zidovudine

P. M. Bhatt, Y. Azim, T. S. Thakur and G. R. Desiraju

Cryst. Growth Des. 9, 951-957 (2009).

 

308. Additive induced polymorphism. The pentafluorophenol–pentafluoroaniline system.

M. T. Kirchner. D. Bläser, R. Boese and G. R. Desiraju

CrystEngComm, 11, 229-231 (2009).

 

309. Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test

G. M. DayT. G. CooperA. J. Cruz-CabezaK. E. HejczykH. L. AmmonS. X. M. BoerrigterJ. S. TanR. G. Della ValleE. VenutiJ. JoseS. R. GadreG. R. DesirajuT. S. ThakurB. P. van EijckJ. C. FacelliV. E. BazterraM. B. FerraroD. W. M. HofmannM. A. NeumannF. J. J. LeusenJ. KendrickS. L. PriceA. J. MisquittaP. G. KaramertzanisG. W. A. WelchH. A. ScheragaY. A. ArnautovaM. U. SchmidtJ. van de StreekA. K. Wolf and B. Schweizer.

Acta Crystallogr., B65, 107-125 (2009).

 

310. The nature of halogen⋅⋅⋅halogen Interactions : A model derived from    experimental charge density analysis

T. T. T. Bui, S. Dahaoui, C. Lecomte, G. R. Desiraju and E. Espinosa

Angew. Chem. Int. Ed., 48, 3838-3841 (2009).

 

311. Structure-based design of DevR inhibitor active against non-replicating Mycobacterium tuberculosis

R. K. Gupta, T. S. Thakur, G. R. Desiraju and J. S. Tyagi

J. Med Chem., 52, 6324-6334 (2009)

 

312. 1,3-Difluorobenzene 

M. T. Kirchner, D. Bläser, R. Boese, T. S. Thakur and G. R. Desiraju

Acta Crystallogr., E65,o2668-o2669(2009).

 

313. 1,2,3-Trifluorobenzene

M. T. Kirchner, D. Bläser, R. Boese, T. S. Thakur and G. R. Desiraju

Acta Crystallogr., E65, o2670 (2009).

 

314. Long-Range synthon aufbau modules (LSAM) and crystal structures: Systematic changes in C6H6-nFn (0 ≤ n ≤ 6) fluorobenzenes

P. Ganguly and G. R. Desiraju

CrystEngComm, 12, 817-833 (2010).

 

315. N–H···O and C–H···O Interaction mimicry in the 1:1 molecular complexes of 5,5-diethylbarbituric acid with urea and acetamide

T. S. Thakur, Y. Azim, T. Srinu and G. R. Desiraju 

Curr. Sci. 98, 793-802 (2010)

 

316. Molecular and crystal structure of 4-ethynylcyanobenzene. An example of C–H…N hydrogen bonding.

S. Mahapatra, Y. Azim and  G. R. Desiraju

J. Mol. Str., 976,200-204 (2010)

 

317. New Solid State Forms of the Anti-HIV Drug Efavirenz. Conformational Flexibility and High Z' Issues

S. Mahapatra, T. S. Thakur, S. Joseph, S. Varughese and G. R. Desiraju

Cryst. Growth Des., 10, 3191-3202 (2010)

 

318. C–H···F–C Hydrogen bonding in 1,2,3,5-tetrafluorobenzene and other fluoroaromatic compounds and the crystal structure of alloxan revisited.

T. S. Thakur, M. T. Kirchner, D. Bläser, R. Boese and G. R. Desiraju

CrystEngComm 12, 2079-2085 (2010)

 

319. Using Water as a Design Element in Crystal Engineering.  Host-Guest Compounds of Hydrated 3,5-Dihydroxybenzoic acid

S. Varughese and G. R. Desiraju

Cryst. Growth Des., 10, 4184-4196 (2010)

 

320. Co-crystals of alprazolam with carboxylic acids, boric acid, boronic acids and phenols. Evaluation of supramolecular heterosynthons mediated by a triazole ring.

S. Varughese, Y. Azim and G. R. Desiraju

J. Pharm. Sci., 99, 3743-3753 (2010).

 

321. Crystal engineering. A brief overview.

G. R. Desiraju

J. Chem. Sci., 122, 667-675 (2010)

 

322. Quinoxaline, Z' = 1 form.

R. Sathishkumar, S. Mahapatra, T. S. Thakur and G. R. Desiraju

Acta Crystallogr., E66, o2789 (2010)

 

323. Mechanical Anisotropy in Crystalline Saccharin: Nanoindentation Studies

M. S. R. N. Kiran, S. Varughese, C. Malla Reddy, U. Ramamurty and G. R. Desiraju

Cryst. Growth Des., 10, 4650-4655 (2010)

 

324. Third polymorph of phenylacetylene.

T. S. Thakur, R. Sathishkumar, A. G. Dikundwar, T. N. Guru Row and G. R. Desiraju

Cryst. Growth Des., 10, 4246-4249 (2010)

 

325. Dimorphism and structural modulation in quinoxaline.

R. Sathishkumar, S. Mahapatra, T. S. Thakur and G. R. Desiraju

Curr. Sci., 99, 1807-1810 (2010)

 

326. A Bond by any other name

G. R. Desiraju

Angew. Chem. Int. Ed., 50, 52-59 (2011)

 

327. Transferability of multipole charge density parameters for supramolecular synthons: A new tool for quantitative crystal engineering. 

V. R. Hathwar, T. S. Thakur, T. N. Guru Row and G. R. Desiraju

Cryst. Growth Des., 11, 616-623 (2011)

 

328. Drug-drug co-crystals. Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid.

P. Grobelny,A. Mukherjee and G. R. Desiraju

CrystEngComm, 13, 4358-4364 (2011)

 

329. Synthon polymorphism and pseudopolymorphism in co-crystals. The 4,4’-bipyridine – 4-hydroxybenzoic acid structural landscape.

A. Mukherjee and G. R. Desiraju

Chem. Comm. 47, 4090-4092 (2011)

 

330. Reflections on the hydrogen bond in crystal engineering.

G. R. Desiraju

Cryst. Growth Des., 11, 896-898 (2011)

 

331. Polymorphs, pseudopolymorphs and co-crystals of orcinol: Exploring the structural landscape with high throughput crystallography.

A. Mukherjee, P. J. Grobelny, T. S. Thakur,and G. R. Desiraju

Cryst. Growth Des., 11, 2637-2653 (2011).

 

332. Defining the hydrogen bond: An account.

E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, S. Scheiner, I. Alkorta, D. C. Clary, R. H. Crabtree, J. J. Dannenberg, P. Hobza, H. G. Kjaergaard, A. C. Legon, B. Mennucci and D. J. Nesbitt

Pure Appl. Chem., 83, 1619-1636 (2011) 

 

333. Definition of the hydrogen bond.

E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, S. Scheiner, I. Alkorta, D. C. Clary, R. H. Crabtree, J. J. Dannenberg, P. Hobza, H. G. Kjaergaard, A. C. Legon, B. Mennucci and D. J. Nesbitt

Pure Appl. Chem., 83, 1637-1641 (2011) 

 

334. The nature and strength of C−H···O interactions involving formyl hydrogen atoms: Computational and experimental studies of small aldehydes.

T. S. Thakur, M. T. Kirchner, D. Bläser, R. Boese and G. R. Desiraju

Phys. Chem. Chem. Phys., 13, 14076-14091 (2011)

 

335. Structural variability in the monofluoroethynylbenzenes mediated through interactions involving ‘organic’ fluorine.

A. G. Dikundwar,R. Sathishkumar, T. N. Guru Row and G. R. Desiraju  

Cryst. Growth Des., 11, 3954-3963 (2011)

 

336. Halogen bonding and structural modularity in 2,3,4- and 3,4,5-trichlorophenol

A. Mukherjee and G. R. Desiraju

Cryst. Growth Des., 11, 3735-3739(2011)

 

337. Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation.
S. Varughese, M. S. R. N. Kiran, K. Solanko, A. D. Bond, U. Ramamurty and G. R. Desiraju

Chem. Sci., 2, 2236-2242 (2011)

 

338. C–H…O hydrogen bonds in anisaldehyde, salicylaldehyde and cinnamaldehyde
M. T. Kirchner, D. Bläser, R. Boese, T. S. Thakur and G. R. Desiraju
Acta Cryst., C, 67, O387-O390 (2011)

 

339. Shape and size mimicry in the design of ternary molecular solids: Towards a robust strategy for crystal engineering

S. Tothadi, A. Mukherjee and G. R. Desiraju

Chem. Comm. 47, 12080-12082 (2011)

 

340. Crystal Packing and Melting Temperatures of Small Oxalate Esters: The Role of C–H···O Hydrogen Bonding

S. Joseph, R. Sathishkumar, S. Mahapatra and G. R. Desiraju

Acta Cryst. Sect B, 67, 525-534 (2011)

 

341. Towards crystal structure prediction of pharmaceutically relevant organic molecules — a report on the fifth blind test
D. A. Bardwell, C. S. Adjiman, Y. A. Arnautova, E. Bartashevich, S. X. M. Boerrigter, D. E. Braun, A. J. Cruz-Cabeza, G. M. Day, R. G. Della Valle, G. R. Desiraju, B. P. van Eijck, J. C. Facelli, M. B. Ferraro, D. Grillo, M. Habgood, D. W. M. Hofmann, F. Hofmann, K. V. J. Jose, P. G. Karamertzanis, A. V. Kazantsev, J. Kendrick, L. N. Kuleshova, F. J. J. Leusen, A. V. Maleev, A. J. Misquitta, S. Mohamed, R. J. Needs, M. A. Neumann, D. Nikylov, A. M. Orendt, R. Pal, C. C. Pantelides, C. J. Pickard, L. S. Price, S. L. Price, H. A. Scheraga, J. van de Streek, T. S. Thakur, S. Tiwari, E. Venuti and I. K. Zhitkov

Acta Cryst. Sect B, 67, 535-551 (2011)

 

342. Phenylboronic acids in crystal engineering. Utility of the energetically

unfavorable syn,syn-conformation in co-crystal design

S. Varughese, S. B. Sinha and G. R. Desiraju

Science China Chem. 54, 1909-1919 (2011)

 

343. Probing water assisted self-assembly and dehydration in sodium saccharin dihydrate with nanoindentation

M. S. R. N. Kiran,S. Varughese,U. Ramamurtyand G. R. Desiraju

CrystEngComm, 14, 2489-2493 (2011)

 

344. Pharmaceutical salts and co-crystals. Retrospect and prospect

G. R. Desiraju

In Pharmaceutical Salts and Co-Crystals, eds. J. Wouters and L. Quere, Royal Society of Chemistry, 2011, pp 1-8.

 

345. Triclabendazole: An Intriguing Case of Co-existence of Conformational and Tautomeric Polymorphism

S. Tothadi, B. R. Bhogala,A. R. Gorantla,T. S. Thakur, R. K. R. Jetti and 

G. R. Desiraju

Chem. Asian J. 7, 330-342 (2011)

 

346. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their co-crystals with isonicotinamide: Importance of C–H···O, C–H···F and F···F intermolecular regions.

V. R. Hathwar, T. S. Thakur, R. Dubey, M. S. Pavan, T. N. Guru Row and G. R. Desiraju

J. Phys. Chem., 115, 12852-12863 (2011)

 

347. Unusual co-crystal of isonicotinamide. The structural landscape in crystal engineering

S. Tothadi and G. R. Desiraju

Philos. Trans. R. Soc., 370, 2900-2915 (2012)

 

348. Polymorphs, Salts, and Cocrystals: What’s in a Name?

S. Aitipamula, R. Banerjee, A. K. Bansal, K. Biradha, M. L. Cheney, A. R. Choudhury, G. R. Desiraju, A. G. Dikundwar, R. Dubey, N. Duggirala, P. P. Ghogale, S. Ghosh, P. K. Goswami, N. R. Goud, R. K. R. Jetti, P. Karpinski, P. Kaushik, D. Kumar, V. Kumar, B. Moulton, A. Mukherjee, G. Mukherjee, A. S. Myerson, V. Puri, A. Ramanan, T. Rajamannar, C. M. Reddy, N. Rodriguez-Hornedo, R. D. Rogers, T. N. G. Row, P. Sanphui, N. Shan, G. Shete, A. Singh, C. C. Sun, J. A. Swift, R. Thaimattam, T. S. Thakur, R. K. Thaper, S. P. Thomas, S. Tothadi, V. R. Vangala, N. Variankaval, P. Vishweshwar, D. R. Weyna and M. J. Zaworotko

Cryst. Growth Des., 12, 2147-2152(2012)

 

349. Structural landscape of benzoic acid: using experimental crystal structures of fluorobenzoic acids as a probe

R. Dubey, M. S. Pavan and G. R. Desiraju

Chem. Commun., 48, 9020-9022 (2012)

 

350. Nanoindentation as a Probe for Mechanically Induced Molecular
Migration in Layered Organic Donor-Acceptor Complexes

S. Varughese,M. S. R. N. Kiran,U. Ramamurtyand G. R. Desiraju

Chem. Asian J. 7, 2118-2125 (2012)

 

351. Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor

P. Grobelny,A. Mukherjee and G. R. Desiraju

CrystEngComm, 14, 5785-5794 (2012)

 

352. Synthon modularity in 4-hydroxybenzamide–dicarboxylic acid cocrystals

S. Tothadi and G. R. Desiraju

Cryst. Growth Des., 12, 6188-6198(2012)

 

353. Nanoindentation in Crystal Engineering: Quantifying Mechanical Properties of Molecular Crystals 

S. Varughese, M. S. R. N. Kiran, U. Ramamurty and G. R. Desiraju

Angew. Chem. Int. Ed., 52, 2701-2712 (2013)

 

354. Synthon identification in co-crystals and polymorphs with

IR spectroscopy. Primary amides as a case study.

  1. Mukherjee, S. Tothadi, S. Chakraborty, S. Ganguly and G. R. Desiraju

CrystEngComm. 15, 4640-4654 (2013) 

 

355. Odd-even effect in the elastic modulii of α,ω-alkanedicarboxylic acids

M. K. Mishra, S. Varughese, U. Ramamurty and G. R. Desiraju

J. Am. Chem. Soc., 135, 8121-8124 (2013)

 

356. Crystal Engineering. From Molecule to Crystal

G. R. Desiraju

J. Am. Chem. Soc., 135, 9952-9967 (2013) 

 

357. Synthon Modularity in Cocrystals of 4-Bromobenzamide with n-Alkanedicarboxylic Acids: Type-I and Type-II Halogen···Halogen Interactions 

S. Tothadi, S. Joseph and G. R. Desiraju

Cryst. Growth Des., 13, 3242-3254(2013)

 

358. New Solid Forms of the Anti-HIV Drug Etravirine: Salts, Cocrystals and Solubility

L. Rajput, P. Sanphui and G. R. Desiraju

Cryst. Growth Des., 13, 3681-3690(2013)

 

359. Designing Ternary Cocrystals with Hydrogen Bonding and Halogen Bonding. S. Tothadi and G. R. Desiraju

Chem. Commun. 49, 7791-7793 (2013)

 

360. Definition of the halogen bond (IUPAC Recommendations 2013)

G. R. Desiraju, P. S. Ho, L. Kloo, A. C. Legon, R. Marquardt, P. Metrangolo, P. Politzer, G. Resnati and K. Rissanen

Pure Appl. Chem. 85, 1711-1713 (2013) 

 

361. Halogen bonds in some dihalogenated phenols. Applications to crystal engineering.

A. Mukherjee and G. R. Desiraju

IUCrJ, 1, 49-60 (2014)

 

362. Crystal Landscape in the Orcinol:4,4′Bipyridine System: Synthon Modularity, Polymorphism and Transferability of Multipole Charge Density Parameters

R. Dubey, M. S. Pavan, T. N. Guru Row and G. R. Desiraju

IUCrJ, 1, 8-18 (2014)

 

363. Salt and cocrystals of sildenafil with dicarboxylic acids: Solubility and pharmacokinetic advantage of the glutarate salt
P. Sanphui, S. Tothadi, S. Ganguly and G. R. Desiraju

Mol. Pharm, 10, 4687-4697 (2014)

 

364. Structural landscape of the 1:1 benzoic acid–isonicotinamide cocrystal

R. Dubey and G. R. Desiraju

Chem. Commun. 50, 1181-1184 (2014)

 

365. Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine

S. Chakraborty, S. Ganguly and G. R. Desiraju

CrystEngComm. 16, 4732-4741 (2014)

 

366. Some themes in chemical crystallography pertinent to the Indian contribution

G. R. Desiraju

J. Indian Inst. Sci. 94, 1-8 (2014)

 

367. Combinatorial exploration of structural landscape of acid–pyridine cocrystals
A. Mukherjee and G. R. Desiraju

Cryst. Growth Des. 14, 1475-1485 (2014)

[ACS Editors’ Choice]

 

368. Designing ternary co-crystals with stacking interactions and weak hydrogen bonds. 4,4′-bis-Hydroxyazobenzene

S. Chakraborty, L. D. Rajput and G. R. Desiraju

Cryst. Growth Des. 14, 2571-2577 (2014)

 

369. Aniline–phenol recognition. From solution through supramolecular synthons to cocrystals

A. Mukherjee, K. Dixit, S. P. Sarma and G. R. Desiraju

IUCrJ 1, 228-239 (2014)

 

370. Solubility-Hardness Correlation in Molecular Crystals: Curcumin and Sulfathiazole Polymorphs

M. K. Mishra,P. Sanphui,U. Ramamurty and G. R. Desiraju

Cryst. Growth Des. 14, 3054-3061 (2014)

 

371. Obtaining synthon modularity in ternary cocrystals with hydrogen bonds and halogen bonds

S. Tothadi, P. Sanphui and G. R. Desiraju

Cryst. Growth Des. 14, 5293-5302 (2014)

 

372. Combinatorial Crystal Synthesis: Structural Landscape of Phloroglucinol:1,2-bis(4-pyridyl)ethylene and Phloroglucinol:Phenazine

R. Dubey and G. R. Desiraju

Angew. Chem. Int. Ed. 53, 13178-13182 (2014)

 

373. Halogen Bonds in Crystal Engineering: Like Hydrogen Bonds yet Different

A. Mukherjee, S. Tothadi and G. R. Desiraju

Acc. Chem. Res. 47, 2514-2524 (2014)

 

374. Graded IR-filters: Distinguishing between single and multipoint NO2···I

halogen bonded supramolecular synthons (P, Q, R synthons)

S. Saha, S. Ganguly and G. R. Desiraju

Aust. J. Chem. 67, 1840-1848 (2014)

 

375. Studying Microstructure in Molecular Crystals with Nanoindentation: Intergrowth Polymorphism in Felodipine. 

M. K. Mishra, G. R. Desiraju, U. Ramamurty and A. D. Bond

Angew. Chem. Int. Ed. 53, 13102-13105 (2014)

 

376. Crystal Structure and Prediction

T. S. Thakur, R. Dubey and G. R. Desiraju

Ann. Rev. Phys. Chem. 66, 21-42 (2015)

 

377. IR Spectroscopy as a probe for C–H∙∙∙X hydrogen bonded supramolecular synthons

S. Saha, L. Rajput, S. Joseph, M. K. Mishra, S. Ganguly and G. R. Desiraju

CrystEngComm, 17, 1273-1290 (2015)

 

378. Exploring the crystal structure landscape with a heterosynthon module: Fluorobenzoic acid:1,2-bis(4-pyridyl)ethylene 2:1 cocrystals

R. Dubey and G. R. Desiraju

Cryst. Growth Des. 15, 489-496 (2015)

 

379. Tuning mechanical properties of pharmaceutical crystals with multicomponent crystals: Voriconazole as a case study

P. Sanphui, M. K. Mishra,U. Ramamurty and G. R. Desiraju

Mol. Pharm. 12, 889-897 (2015) 

 

380. Designing elastic organic crystals: Highly flexible polyhalogenated N-benzylideneanilines

S. Ghosh, M. K. Mishra, S. Kadambi, U. Ramamurty and G. R. Desiraju

Angew. Chem. Int. Ed. 54, 2674-2678 (2015)

 

381. Solid solution hardening of molecular crystals: tautomeric polymorphs of omeprazole

M. K. Mishra, U. Ramamurty and G. R. Desiraju

J. Am. Chem. Soc., 137, 1794-1797 (2015)

 

382. Bimodal nanoindentation response of the (001) face in crystalline sodium saccharin dihydrate

M. K. Mishra, U. Ramamurty and G. R. Desiraju

Macedonian J. Chem. Chem. Engg. 34, 51-55 (2015) 

 

383. Cocrystals of Hydrochlorothiazide: Solubility and diffusion/permeability

enhancements through drug-coformer interactions

P. Sanphui, V. Kusum Devi, D. Mathew, N. Malviya, S. Ganguly and

G. R. Desiraju

Mol. Pharm. 12, 1615-1622 (2015)

 

384. Hardness Alternation in α,ω-Alkanedicarboxylic Acids

M. K. Mishra,U. Ramamurty  and G. R. Desiraju

Chem. Asian J. 10, 2176-2181 (2015)



385. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes. A route to ternary cocrystals

R. Dubey and G. R. Desiraju

IUCrJ, 2, 402-408 (2015)

 

386. Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline
S. Ghosh, M. K. Mishra, S. Ganguly and G. R. Desiraju

J. Am. Chem. Soc., 137, 9912-9921 (2015)

 

387. Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol

N. A. Mir, R. Dubey, S. Tothadi and G. R. Desiraju

CrystEngComm, 17, 7866-7869 (2015)

 

388. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: Correlation between maximum yield in the solid state topochemical reaction and cooperative molecular motion

M. K. Mishra, A. Mukherjee, U. Ramamurtyand G. R. Desiraju

IUCrJ, 2, 653-660 (2015)

 

389. Four- and five-component molecular solids. Crystal engineering strategies based on lack of structural degeneracy

N. A. Mir, R. Dubey and G. R. Desiraju

IUCrJ, 3, 96-101 (2016)

 

390. Quaternary cocrystals. Combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)

R. Dubey, N. A. Mir and G. R. Desiraju

IUCrJ, 3, 102-107 (2016)

 

391. New multi-component solid forms of an anti-cancer drug erlotinib: Role of auxiliary interactions in determining a preferred conformation

P. Sanphui, L. D. Rajput, S. P. Gopi and G. R. Desiraju

Acta Crystallogr., Sect. B, 72, 291-300 (2016)

 

392. Using structural modularity in cocrystals to engineer properties: elasticity 

S. Saha and G. R. Desiraju

Chem. Commun.
 52, 7676-7679 (2016) 

393. Cocrystal and salt forms of furosemide: solubility and diffusion variations

M. Banik, S. P. Gopi, S. Ganguly and G. R. Desiraju

Cryst. Growth Des. 16, 5418-5428 (2016)

 

394. Use of the term "Crystal Engineering" in the regulatory and patent literature of pharmaceutical solid forms. Some comments.

G. R. Desiraju and A. Nangia

Cryst. Growth Des. 16, 5585-5587 (2016)

 

395. Mechanical property design of molecular solids

M. K. Mishra, U. Ramamurty and G. R. Desiraju

Curr. Opin. Solid State & Materials Science 20, 361-370 (2016) 

 

396. A drug-drug salt hydrate of norfloxacin and sulfathiazole: Enhancement of in vitro biological properties via improved physicochemical properties

S. P. Gopi, S. Ganguly and G. R. Desiraju

Mol. Pharm. 13, 3590-3594 (2016)

 

397. Looking at aniline-phenol recognition in molecular crystals: an evergreen endeavour

A. Sood and G. R. Desiraju 

Struct. Chem. 28, 173-199 (2016) 

 

398. Hand-Twisted Helical Crystals as an Example of Third Generation Crystal Engineering. 

S. Saha and G. R. Desiraju

J. Am. Chem. Soc. 139, 1975-1983 (2017)

 

399. New Cocrystals of Hydrochlorothiazide: Optimizing Solubility and Membrane Diffusivity 

S. P. Gopi, M. Banik and G. R. Desiraju

Cryst. Growth Des. 17, 308-316 (2017)

 

400. Salts and Cocrystals of Antidiabetic Drugs, Gliclazide, Tolbutamide and Glipizide: Solubility Enhancements through Drug−Coformer Interactions

A. Samie and G. R. Desiraju

Cryst. Growth Des. 17, 2406-2417 (2017)

 

401. σ-hole and π-hole Synthon Mimicry in Third Generation Crystal Engineering. Design of Elastic Crystals

S. Saha and G. R. Desiraju

Chem. Eur. J. 23, 4936-4943 (2017) 

 

402. Exploring the salt-cocrystal continuum with solid-state NMR using natural abundance samples: implications for crystal engineering

L. Rajput, M. Banik, J. R. Yarava, S. Joseph, M. K. Pandey, Y. Nishiyama and G. R. Desiraju

IUCrJ, 4, 466-475 (2017)

 

403. Hand-twisted helical crystals based solely on hydrogen bonding

S. Saha and G. R. Desiraju

Chem. Commun. 53, 6371-6374 (2017)

 

404. Approaches to crystal structure landscape exploration 

G. R. Desiraju

Acta Crystallogr. Sect. B, 73, 775-778 (2017)