Ferreira FF, Antonio SG, Rosa PC, Paiva-Santos CD
Crystal structure determination of mebendazole form A using high-resolution synchrotron X-ray powder diffraction data. [JOURNAL ARTICLE]
J Pharm Sci 2009 Aug 4.
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 $(P\bar 1)$ space group, with unit-cell parameters a = 5.5044(2) A, b = 11.2872(2) A, c = 12.5276(5) A, alpha = 66.694(2) degrees , beta = 82.959(2) degrees , gamma = 78.443(2) degrees , V = 699.52(5) A(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, $R_{\rm F};2$ = 1.69%, R(wp) = 5.72%, and R(p) = 4.37%. A weak nonclassical hydrogen bond involving the atoms N(3)--H(23)$\cdots$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.
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