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X-ray powder diffraction data and crystal data of polymorphic form 2 of carnidazole

Published online by Cambridge University Press:  01 March 2012

Hector Novoa de Armas ,
Oswald M. Peeters ,
Norbert Blaton ,
Dirk J. A. De Ridder  and
Henk Schenk
Hector Novoa de Armas*
Affiliation:
Katholieke Universiteit Leuven, Laboratorium voor Analytische Chemie en Medicinale Fysicochemie, Faculteit Farmaceutische Wetenschappen, Van Evenstraat 4, 3000 Leuven, Belgium
Oswald M. Peeters
Affiliation:
Katholieke Universiteit Leuven, Laboratorium voor Analytische Chemie en Medicinale Fysicochemie, Faculteit Farmaceutische Wetenschappen, Van Evenstraat 4, 3000 Leuven, Belgium
Norbert Blaton
Affiliation:
Katholieke Universiteit Leuven, Laboratorium voor Analytische Chemie en Medicinale Fysicochemie, Faculteit Farmaceutische Wetenschappen, Van Evenstraat 4, 3000 Leuven, Belgium
Dirk J. A. De Ridder
Affiliation:
Universiteit van Amsterdam, Laboratorium voor Kristallografie, IMC, Valckenierstraat 65, 1018XE Amsterdam, The Netherlands
Henk Schenk
Affiliation:
Universiteit van Amsterdam, Laboratorium voor Kristallografie, IMC, Valckenierstraat 65, 1018XE Amsterdam, The Netherlands
*
a)Electronic mail: [email protected]
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Abstract

The indexed powder diffraction pattern and related crystallographic data for polymorphic form 2 of carnidazole (C8H12N4O3S) are reported, as a first step in the structure determination by powder diffraction methods. The unit cell dimensions were determined from high resolution synchrotron powder diffraction data (λ=0.079 998 0 nm) and evaluated by indexing programs. The monoclinic cell found for this polymorph is a=1.3908(2) nm, b=08094(2) nm, c=1.0645(2) nm, β=110.82(2)°,V=1.12015(27)nm3, Z=4, Dx=1.445 Mg∕m3.

Keywords

X-ray powder diffractioncarnidazolepolymorphismindexing
Type
New Diffraction Data
Information
Powder Diffraction , Volume 21 , Issue 1 , March 2006 , pp. 56 - 58
Copyright
Copyright © Cambridge University Press 2006

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References

Berclaz, T., Bernardinelli, G., Geoffroy, M., and Rajalakshmi, N. (1992). “Radiation damage in Carnidazole: A single crystal/ EPR study,” Chimia CHIMAD 46, 130–132.CrossRefGoogle Scholar
Bernardinelli, G., Berclaz, T., Geoffroy, M., and Rajalakshmi, N. (1995). “Anhydrous form of carnidazole, C8H12N4O3S,” Acta Crystallogr., Sect. A: Found. Crystallogr. ACACEQ C51, 1390–1392.Google Scholar
Bernstein, J. (2002). Polymorphism in Molecular Crystals, Clarendon, Oxford.Google Scholar
Blaton, N. M., Peeters, O. M., and De Ranter, C. J. (1979). “O-methyl [2-(2-methyl-5-nitro-1H-imidazole-1-yl)ethyl]thiocarbamate (Carnidazole) monohydrate,” Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. ACBCAR 10.1107/S0567740879004672 B35, 753–755.CrossRefGoogle Scholar
Boultif, A. and Louër, D. (2004). “Powder pattern indexing with the dichotomy method,” J. Appl. Crystallogr. JACGAR 10.1107/S0021889804014876 37, 724–731.CrossRefGoogle Scholar
Byrn, S. R. (1999). Solid State Chemistry of Drugs, Academic, New York.Google Scholar
de Wolf, P. M. (1972). “A definition of the indexing figure of merit M20,” J. Appl. Crystallogr. JACGAR 10.1107/S002188987200932X 5, 243.CrossRefGoogle Scholar
Martindale, , The Extra Pharmacopoeia. (1996). 31st ed., edited by James, E. and Reynolds, F. (The Pharmaceutical Press, London).Google Scholar
Mighell, A. D., Hubbard, C. R., and Stalick, J K. (1981). NBS* AIDS80: A Fortran Program for Crystallographic Data evaluation. Natl. Bur. Stand. Tech. (US) Note No. 1141. (NBS* AIDS83 is an expanded version of NBS* AIDS80).CrossRefGoogle Scholar
Rodríguez-Carvajal, J. (2005). FullProf, version 3.20, LLB, CEA/Saclay, France.Google Scholar
Smith, G. S. and Snyder, R. L. (1979). “FN: A criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing,” J. Appl. Crystallogr. JACGAR 10.1107/S002188987901178X 12, 60–65.CrossRefGoogle Scholar