Royal Society of Chemistry, New Journal of Chemistry, 3(27), p. 597-601
DOI: 10.1039/b207272f
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A crystalline inclusion complex was isolated from the reaction of β-cyclodextrin (βCD) with aqueous S-(+)-ibuprofen (S-Ibu). The existence of a true inclusion complex in the solid state was confirmed by a combination of powder X-ray diffraction (XRD), single crystal X-ray diffraction, thermogravimetric analysis (TGA), FTIR and 13C CP MAS NMR spectroscopies. The inclusion compound crystallises in the non-centrosymmetric monoclinic space group C2 with a 2∶1 host∶guest stoichiometry. The crystal structure consists of a head-to-head dimer of βCD molecules stacked along the crystallographic c axis, thus forming a slightly tilted channel-type structure.