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Published on: August 15, 2016
Crystal structure of the inclusion complex of beta-cyclodextrin with mefenamic acid from high-resolution synchrotron
Mihaela M Pop1, Kees Goubitz, Gheorghe Borodi
1University of Amsterdam, Faculty of Science, Laboratory for Crystallography, Institute of Molecular Chemistry, Nieuwe Achtergracht 166, The Netherlands. mihaela@science.uva.nl
Abstract:
The crystal structure of the inclusion complex of beta-cyclo-dextrin with mefenamic acid has been determined from a combination of high-resolution synchrotron powder-diffraction data and molecular-mechanics calculations. A grid search indicates two possible solutions, which are corroborated by molecular-mechanics calculations, while Rietveld-refinement results suggest the crystal structure that is more likely to be formed in the solid state. Mefenamic acid is partially included in beta-cyclodextrin with either the xylyl or the benzoic-acid moiety being inside its cavity. In both solutions mefenamic acid and beta-cyclodextrin form a monomeric complex in a herringbone packing scheme.
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