FT-IR and FT-Raman spectra of five polymorphs of chlorpropamide. Experimental study and ab initio calculations

Journal of Molecular Structure

Volumn 891, Issue 1-3, 2008, Pages 75-86

  Chesalov, Yu A ^a,b   Baltakhinov, V P ^a,b   Drebushchak, T N ^a,c   Boldyreva, E V ^a,c   Chukanov, N V ^a,d   Drebushchak, V A ^a,e  

^a NOVOSIBIRSK STATE UNIVERSITY   (Russian Federation)

^b BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

^c INSTITUTE OF SOLID STATE CHEMISTRY AND MECHANOCHEMISTRY   (Russian Federation)

^d N N VOROZHTSOV NOVOSIBIRSK INSTITUTE OF ORGANIC CHEMISTRY   (Russian Federation)

^e SOBOLEV INSTITUTE OF GEOLOGY AND MINERALOGY   (Russian Federation)

Author keywords

Ab initio calculations; Chlorpropamide; Hydrogen bonds; Molecular conformations; Polymorphism; Vibrational spectroscopy

Indexed keywords

HYDROGEN; HYDROGEN BONDS; MOLECULAR SPECTROSCOPY; POWDERS; RAMAN SCATTERING; RAMAN SPECTROSCOPY; VIBRATIONAL SPECTRA;

AB INITIO; AB INITIO CALCULATIONS; CHLORPROPAMIDE; CONFORMATIONAL CHANGES; CRYSTALLINE POLYMORPHS; EQUILIBRIUM GEOMETRIES; EXPERIMENTAL STUDIES; INTERMOLECULAR INTERACTIONS; MOLECULAR CONFORMATIONS; PHASE PURITIES; POWDER DIFFRACTIONS; RAMAN SPECTRUMS; STRUCTURAL DATUMS; THEORETICAL CALCULATIONS; VIBRATIONAL BANDS;

POLYMORPHISM;

EID: 55549105758     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.03.006     Document Type: Article

References (25)

1. ICDD, PDF-2, International Center for Diffraction Data, 12, Campus Boulevard, Newtown Square, PA 19073-3273, USA, 2000.
2. Simmons D.L., Ranz R.J., and Guanchandani N.D. Can. J. Pharm. Sci. 8 (1973) 125
3. Burger A. Sci. Pharm. 43 (1975) 152
4. Koo C.H., Cho S.I., and Yeon Y.H. Arch. Pharmacol. Res. 3 (1980) 37
5. Al-Saieq S.S., and Riley G.R. Pharm. Acta Helv. 57 (1982) 8
6. Ueda H., Nambu N., and Nagai T. Chem. Pharm. Bull. 32 (1984) 244
7. Tudor A.M., Church S.J., Hendra P.J., Davies M.C., and Melia C.D. Pharm. Res. 10 (1993) 1772
8. De Villiers M.M., and Wurster D.E. Acta Pharm. 49 (1999) 79
9. Drebushchak T.N., Chukanov N.V., and Boldyreva E.V. Acta Cryst. E62 (2006) o4393
10. Drebushchak T.N., Chukanov N.V., and Boldyreva E.V. Acta Cryst. C63 (2007) o355
11. V.A. Drebushchak, T.N. Drebushchak, N.V. Chukanov, E.V. Boldyreva, J. Therm. Analys. Calorim., 2007, accepted.
12. Ayala A.P. Vibrat. Spectrosc. 45 (2007) 112
13. Wildfong P.L.D., Morris K., Anderson C.A., and Short S.M. J. Pharm. Sci. 96 (2007) 1100
14. Yeo S.-D., Kim M.-S., and Lee J.-C. J. Supercrit. Fluids 25 (2003) 143
15. Koivisto M., Heinaenen P., Tanninen V.P., and Lehto V.-P. Pharm. Res. 23 (2006) 813
16. Otsuka M., Matsumoto T., and Kaneniwa N. J. Pharm. Pharmacol. 41 (1989) 665
17. Matsumoto T., Kaneniwa N., Higuchi S., and Otsuka M. J. Pharm. Pharmacol. 43 (1991) 74
18. C. Vemavarapu, M.J. Mollan, T.E. Needham, AAPS PharmSciTech 3 (2002), article 29. Available from: .
19. Bernstein J. Polymorphism in Molecular Crystals (2002), Clarendon Press, Oxford
20. E. Marti, E. Kaisenberger, G. Kaiser, Thermoanalytical Characterization of Pharmaceuticals, NETZSCH Annual, 2000.
21. Gaussian 98 (Revision A.1x); M.J. Frisch et al., Gaussian, Inc., Pittsburgh PA, 2001.
22. Baltakhinov V.P., Yurchenko E.N., and Podosenin A.V. J. Mol. Catalys. A: Chemical 158 (2000) 399
23. Bellamy L.J. The Infrared Spectra of Complex Molecules. second ed. (1980), Chapman and Hall, London
24. Jeffrey G.A. An Introduction to Hydrogen Bonding (1997), Oxford University Press, New York
25. Yurchenko E.N., Shabanov V.F., Rubailo A.I., et al. Modern Vibrational Spectroscopy of Inorganic Compounds, (in Russian) (1990), Nauka, Novosibirsk