K. Harata
Jun 1, 1977
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0
Influential Citations
122
Citations
Quality indicators
Journal
Bulletin of the Chemical Society of Japan
Abstract
α-Cyclodextrin (α-CDx) forms a 1 : 1 complex with p-nitrophenol (p-NP) and p-hydroxybenzoic acid (p-HB). The crystal structures were determined by the X-ray method. The crystals of both complexes are orthorhombic, and the space group is P212121 with Z=4. The cell dimensions are a=13.455(1), b=15.296(1), and c=24.740(3) A for the p-NP complex, and a=13.356(1), b=15.342(1), and c=24.896(2) A for the p-HB complex. The crystal structures were determined on the basis of the isomorphous structure of the p-iodophenol complex by using 4811 reflections for the p-NP complex and 4692 reflections for the p-HB complex, and refined by the block-diagonal least-squares method to the final R-values of 0.066 and 0.067 respectively. In both complexes, the guest molecule is included in the α-CDx cavity, and the α-CDx ring is deformed from the regular hexagonal symmetry as a result of the inclusion of the planar molecule. The nitrophenyl or carboxyphenyl group is located in the cavity, while the phenolic hydroxyl group protru...