CRYSTAL AND MOLECULAR STRUCTURE OF 2 : 2 (±) FLURBIPROFEN-β-CYCLODEXTRIN COMPLEX

概要

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The crystal structure of β-cyclodextrin (β-CyD) complex with an antiinflammatory drug flurbiprofen (FP), 2-(2-fluoro-4-biphenylyl) propionic acid, was determined by the X-ray method. The complex crystallized in the space group P1,with unit cell dimensions a=15.420 (2), b=15.490 (2), c=18.033 (2) A, α=113.63 (1)°, β=99.36 (1)°, and γ=103.05 (1)°. The structure was solved on the basis of the isomorphous structure of the n-propanol complex and refined to the R-value of 0.084. The two symmetry-independent β-CyD molecules are associated by intermolecular hydrogen-bonds between the secondary hydroxyl groups to form a head-to-head dimer. R- and S-isomers of FP are separately included in the two β-CyD cavities of the dimer, resulting in a 2 : 2 (guest : host) stoichiometry.
社団法人日本薬学会の論文
1983-09-25