The structure of the cyclodextrin complex. II. The crystal structure of .ALPHA.-cyclodextrin-methyl orange (2:1) complex.

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概要

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• α-Cyclodextrin(α-CDx) forms 2 : 1 complexes with Methyl Orange sodium salt (MONa) and Methyl Orange potassium salt (MOK). The structures were investigated by the X-ray method. The crystals of both complexes belongs to the orthorhombic space group P2<SUB>1</SUB>2<SUB>1</SUB>2 with <I>Z</I>=2; the cell dimensions are <I>a</I>=22.099(6), <I>b</I>=16.359(3), and <I>c</I>=8.296(1) Å for the MONa complex, and <I>a</I>=22.120(4), <I>b</I>=16.419(4), and <I>c</I>=8.292(1) Å for the MOK complex. Weak streaks were observed between the layer lines in the oscillation photographs around the c<SUP>*</SUP> axis. The structures were determined by using 1566 reflections for the MONa complex and 2544 reflections for the MOK complex, and were refined by the least-squares method to the final <I>R</I>-values of 0.11 and 0.10 respectively. α-CDx is a doughnut-shaped molecule with a large cavity. The crystals have channel structures built up by the stacking of α-CDx rings along the c axes. The Methyl Orange anions are located in the channel with a statistical disorder of four different arrangements. The azo group and the benzene ring are included in the cavity of α-CDx, but the dimethylamino and sulfonato groups protrude from the cavity and are in contact with the adjacent α-CDx rings. The azo group is located at the "neck" of the cavity. The sulfonato group is hydrogen-bonded to the primary hydroxyl groups of α-CDx. No significant structural difference was observed between the MONa complex and the MOK complex.

• 公益社団法人 日本化学会の論文

著者

• HARATA KAZUAKI

  Research Institute for Polymer and Textiles

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