Structural, spectroscopic (FT-IR, FT-Raman) and theoretical studies of the 1:1 cocrystal of isoniazid with p-coumaric acid

Journal of Molecular Structure

Volumn 1033, Issue , 2013, Pages 272-279

  Ravikumar, N ^a   Gaddamanugu, Gopikrishna ^a   Anand Solomon, K ^a  

^a Sankar Foundation Research Institute   (India)

Author keywords

Ab initio; API nutraceutical; Cocrystal; X ray crystallography

Indexed keywords

CALCULATIONS; CRYSTAL STRUCTURE; HYDRAZINE; HYDROGEN BONDS; MOLECULAR VIBRATIONS; SINGLE CRYSTALS; X RAY ANALYSIS; X RAYS;

AB INITIO; CO-CRYSTALS; HYDROGEN BONDING INTERACTIONS; NUTRACEUTICALS; OPTIMIZED STRUCTURES; SINGLE CRYSTAL X-RAY ANALYSIS; SLOW EVAPORATION METHOD; THEORETICAL STUDY;

X RAY CRYSTALLOGRAPHY;

EID: 84869880378     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2012.10.029     Document Type: Article

References (33)

1. I. Kola, and J. Landis Nat. Rev. Drug Discovery 3 2004 711
2. S.R. Byrn, R.R. Pfeiffer, G. Stepenson, D.J.W. Grant, and W.B. Gleason Chem. Mater. 6 1994 1148
3. G.P. Stahly Cryst. Growth Des. 9 2009 4212
4. P. Vishweshwar, J.A. McMahon, J.A. Bis, and M.J. Zaworotko J. Pharm. Sci. 95 2006 499
5. USP DI®, Drug Information for the Health Care Professional, 15th ed., vol. I, 1995, pp. 1627.
6. Y.L. Janin Bioorg. Med. Chem. 15 2007 2479
7. A. Lemmerer, J. Bernstein, and V. Kahlenberg Cryst. Eng. Comm. 12 2010 2856
8. N.F. Atta, A. Galal, and R.A. Ahmed Int. J. Electrochem. Sci. 6 2011 5097
9. S.T. Talcott, C.E. Duncan, D.D. Pazo-Insfran, and D.W. Gorbet Food Chem. 89 2005 77
10. M.P. Kahkonen, A.I. Hopia, H.J. Vuorela, J.P. Rauha, K. Pihlaja, T.S. Kujala, and M. Heinonen J. Agric. Food Chem. 47 1999 3954
11. L.R. Ferguson, Z. Shou-tun, and P.J. Harris Mol. Nutr. Food Res. 49 2005 585
12. C. Luceri, L. Giannini, M. Lodovici, E. Antonucci, R. Abbate, E. Masini, and P. Dolara Br. J. Nutr. 97 2007 458
13. F. Guglielmi, C. Luceri, L. Giovannelli, P. Dolara, and M. Lodovici Br. J. Nutr. 89 2003 581
14. C. Luceri, F. Guglielmi, F. Meoni, and P. Dolara Scand. J. Gastroenterol. 39 2004 1128
15. J.L. Beltran, N. Sanli, G. Fonrodona, D. Barron, G. Özkan, and J. Barbosa Anal. Chim. Acta 484 2003 253
16. Bruker APEX2, SAINT and SADABS, Bruker AXS Inc., Madison, Wisconsin, USA, 2004.
17. A. Altomare, G. Cascarano, C. Giacovazzo, and A. Guagliardi J. Appl. Cryst. 26 1993 343
18. G.M. Sheldrick Acta Cryst. A64 2008 112
19. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, GAUSSIAN 03, Revision C.02, Gaussian, Inc., Wallingford, CT, 2004.
20. A.D. Becke J. Chem. Phys. 98 1993 5648
21. A.D. Becke J. Chem. Phys. 107 1997 8554
22. C. Lee, W. Yang, and G.R. Parr Phys. Rev. B 37 1988 785
23. W.J. Hehre, L. Random, P.V.R. Schleyer, and J.A. Pople Ab Initio Molecular Orbital Theory 1986 Wiley New York
24. G.A. Jeffrey, H. Maluszynska, and J. Mitra Int. J. Biol. Macromol. 7 1985 336
25. G.R. Desiraju, and T. Steiner The Weak Hydrogen Bond 1999 University Press Oxford
26. D. Hadzi, S. Bratos, P. Schuster, G. Zundel, and C. Sandorfy Hydrogen Bond: Recent Developments in Theory and Experiments vol. 2 1976 Springer Amsterdam 565
27. W.F. Maddams, and M.J. Southon Spectrochim. Acta 38A 1992 459
28. G. Talsky Derivative Spectrophotometry 1994 VCR Weinheim
29. B. Schrader Infrared and Raman Spectroscopy: Methods and Applications 1995 VCH Weinheim
30. E. Smith, and G. Dent Modern Raman Spectroscopy: A Practical Approach 2005 Wiley & Sons Ltd. Chichester
31. Z. Dega-Szafran, G. Dutkiewicz, Z. Kosturkiewicz, and M. Szafran J. Mol. Struct. 889 2008 286
32. M. Newcomb, S. Moore, and D. Cram J. Am. Chem. Soc. 99 1977 6405
33. C. Hansch J. Org. Chem. 43 1978 4889