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X-ray powder diffraction data of the antifungal agents, clotrimazole and fluconazole monohydrate

Published online by Cambridge University Press:  21 January 2014

A. Dugarte ,
J. Contreras ,
G. Díaz de Delgado ,
J.M. Delgado ,
J.L. Pinto  and
J.A. Henao
A. Dugarte
Affiliation:
Laboratorio de Cristalografía-LNDRX, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela
J. Contreras
Affiliation:
Laboratorio de Cristalografía-LNDRX, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela
G. Díaz de Delgado
Affiliation:
Laboratorio de Cristalografía-LNDRX, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela
J.M. Delgado*
Affiliation:
Laboratorio de Cristalografía-LNDRX, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela
J.L. Pinto
Affiliation:
Grupo de Investigación en Química Estructural (GIQUE), Escuela de Química, Facultad de Ciencias, Universidad Industrial de Santander, A.A. 678, Carrera 27, Calle 9, Ciudadela Universitaria, Bucaramanga, Colombia
J.A. Henao
Affiliation:
Grupo de Investigación en Química Estructural (GIQUE), Escuela de Química, Facultad de Ciencias, Universidad Industrial de Santander, A.A. 678, Carrera 27, Calle 9, Ciudadela Universitaria, Bucaramanga, Colombia
*
a) Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

Clotrimazole (C22H17ClN2, 1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole) and fluconazole (C13H12F2N6, 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazole-1-yl)propan-2-ol) are two active pharmaceutical ingredients commonly used in the treatment and prevention of superficial and systemic fungal infections. The X-ray powder diffraction data and the unit cell parameters of anhydrous clotrimazole [Triclinic, P ${\bar 1}$ , a  = 8.776(1) Å, b  = 10.571(2) Å, c  = 10.622(3) Å, α = 114.08(2)°, β = 96.87(2)°, γ = 97.61(2)°, V = 875.2(2) Å3, Z = 2] and monohydrated fluconazole [Triclinic, P ${\bar 1}$ , a  = 5.6353(4) Å, b  = 11.753(1) Å, c  = 12.326(1) Å, α = 71.220(8)°, β = 79.896(9)°, γ = 84.35(1)°, V = 760.13(9) Å3, Z = 2] are reported.

Keywords

clotrimazolefluconazoleX-ray diffraction powder data
Type
New Diffraction Data
Information
Powder Diffraction , Volume 29 , Issue 3 , September 2014 , pp. 289 - 294
Copyright
Copyright © International Centre for Diffraction Data 2014 

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References

Allen, F. H. (2002). “The Cambridge Structural Database: a quarter of a million crystal structures and rising,” Acta Crystallogr., Sect. B: Structural Science 58, 380–388.Google Scholar
Bennet, J. E. (2006). “Antifungal agents,” in Goodman & Gilman's: The Pharmacological Basis Therapeutics, edited by Brunton, L. L., Lazo, J. S., and Parker, K. L. (McGraw-Hill, USA), 11th ed., pp. 1225–1241.Google Scholar
Boultif, A. and Loüer, D. (2004). “Indexing of powder diffraction patterns of low symmetry lattices by successive dichotomy method,” J. Appl. Crystallogr. 37, 724–731.Google Scholar
Caira, M. R., Khouloud, A. A. and Rana, M. O. (2004). “Preparation and crystal characterization of a polymorph, a monohydrate, and an ethyl acetate solvate of the antifungal fluconazole,” J. Pharm. Sci. 93, 601–611.CrossRefGoogle Scholar
de Wolff, P. M. (1968). “A simplified criterion for the reliability of a powder pattern indexing,” J. Appl. Crystallogr. 1, 108–113.Google Scholar
Hoogerheide, J. G. and Wyka, B. E. (1982). “Clotrimazole,” in Analytical Profiles of Drug Substances, edited by Florey, K. (Academic, New York), Vol. 11, pp. 225–255.Google Scholar
ICDD (2013). PDF-4/Organics 2013 (Database), edited by Kabekkodu, S., International Centre for Diffraction Data, Newtown Square, PA, USA.Google Scholar
Mayer, I. (1999). Hebrew University, Jerusalem, Israel. ICDD Grant-in-Aid.Google Scholar
Mighell, A. D., Hubbard, C. R., and Stalick, J. K. (1981). NBS*AIDS83: A FORTRAN Program for Crystallographic Data Evaluation (Technical Note 1141). USA: National Bureau of Standards.Google Scholar
O'Neil, M. J., Heckelman, P. E., Merck Koch, C. B., and Roman, K. J. (Eds.) (2006). The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals (Merck, Whitehouse Station, NJ), 14th ed., p. 407 and 704.Google Scholar
Rodriguez-Carvajal, J. (1990). FULLPROF: a Program for Rietveld Refinement and Pattern Matching Analysis. Abstracts of the Satellite Meeting on Powder Diffraction of the XV Congress of the IUCr, Toulouse, France, p. 127.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. 12, 60–65.Google Scholar
Song, H. and Shin, H. S. (1998). “The antifungal drug clotrimazole,” Acta Crystallogr. C54, 1675–1676.Google Scholar