Artículos de revistas
Crystal Structure Determination of Mebendazole Form A Using High-Resolution Synchrotron X-Ray Powder Diffraction Data
Fecha
2010-04-01Registro en:
Journal of Pharmaceutical Sciences. Hoboken: John Wiley & Sons Inc, v. 99, n. 4, p. 1734-1744, 2010.
0022-3549
10.1002/jps.21902
WOS:000276226300008
Autor
Lab Nacl Luz Sincrotron
Universidade Estadual Paulista (Unesp)
Universidade Estadual de Campinas (UNICAMP)
Institución
Resumen
The crystal structure determination of mebendazole form A, an anthelmintic drug, was performed for the first time by applying the DASH software program to synchrotron X-ray powder diffraction data, and supported by a satisfying Rietveld fit. This polymorph of mebendazole crystallizes in a triclinic (P (1) over bar) space group, with unit-cell parameters a = 5.5044(2)angstrom, b = 11.2872(2)angstrom, c = 12.5276(5)angstrom, a= 66.694(2)degrees, beta = 82.959(2)degrees, gamma = 78.443(2)degrees, V = 699.52(5)angstrom(3), Z = 2, M = 295.293 g mol(-1), rho(calc) = 1.4021 g cm(-3), and rho(meas) = 1.3935(66) g cm(-3), which were obtained by means of the unit-cell formula weight and a picnometric measurement, respectively. The goodness-of-fit and R-factors were, respectively: chi(2) = 1.746, R(F)(2) = 1.69%, R(wp) = 5.72%, and R(p) = 4.37%. A weak nonclassical hydrogen bond involving the atoms N(3)-H(23)center dot center dot center dot O(11) may be responsible for the greater stability of the polymorphic form A of mebendazole due to the strongest electronegativity of nitrogen. (C) 2009 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 99:1734-1744, 2010