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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: migueld@ula.ve
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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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