title: Crystal structure of the inclusion complex of beta-cyclodextrin with mefenamic acid from high-resolution synchrotron powder-diffraction data in combination with molecular-mechanics calculations.
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.
authors.affiliation: University of Amsterdam, Faculty of Science, Laboratory for Crystallography, Institute of Molecular Chemistry, Nieuwe Achtergracht 166, The Netherlands. mihaela@science.uva.nl
authors.forename: Mihaela M
authors.initials: MM
authors.lastname: Pop
authors.forename: Kees
authors.initials: K
authors.lastname: Goubitz
authors.forename: Gheorghe
authors.initials: G
authors.lastname: Borodi
authors.forename: Mircea
authors.initials: M
authors.lastname: Bogdan
authors.forename: Dirk J A
authors.initials: DJ
authors.lastname: De Ridder
authors.forename: Rene
authors.initials: R
authors.lastname: Peschar
authors.forename: Henk
authors.initials: H
authors.lastname: Schenk