Interactions of calcium ions with carbohydrates: Crystal structure of calcium D-glucarate tetrahydrate.
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概要
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The crystal structure of calcium D-glucarate tetrahydrate has been determined from three dimensional X-ray data, and refined by the least squares method including an anisotropic temperature factor. The crystals are orthorhombic, space group P2<SUB>1</SUB>2<SUB>1</SUB>2<SUB>1</SUB> with <I>a</I>=16.09, <I>b</I>=11.36 and <I>c</I>=6.68Å. The calcium ion is bound to two glucarate molecules and three water molecules. The eight oxygen atoms form the calcium coordination shell of a distorted square-antiprism geometry. The carboxyl group including C(1) of D-glucarate has an eclipsed conformation relative to C(2) and O(2), and is coordinated with one calcium ion through the carboxyl oxygen O(1) and the α-hydroxyl oxygen O(2), and with the other calcium ion through the carboxyl oxygen O′(1) and the hydroxyl oxygens O(3) and O(4). The other carboxyl group including C(6) has an unusual staggered conformation relative to C(5) and O(5), and is not coordinated with calcium ions. However the oxygen atoms of the latter carboxyl group are attached by hydrogen bonds to a number of hydroxyl groups and water molecules, all of which are coordinated with calcium ions.
- 公益社団法人 日本化学会の論文
著者
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OSAKI Kenji
Faculty of Pharmaceutical Science, Kyoto University
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Taga Tooru
Faculty Of Pharmaceutical Science Kyoto University
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