Interactions of calcium ions with carbohydrates: Crystal structure of calcium dl-glycerate dihydrate.

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概要

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• The crystal structure of calcium DL-glycerate dihydrate has been determined by the heavy atom method. The crystal is monoclinic, space group P2<SUB>1</SUB>/c, with unit cell dimensions: <I>a</I>=14.40, <I>b</I>=7.63, <I>c</I>=10.40 Å, and β=98.8°. Two independent glycerate anions have different conformations. β-Hydroxy oxygen in one conformer is trans-gauche to α-carboxy carbon and α-hydroxy oxygen, while that in the other conformer is gauche-gauche. Ca–O interactions and hydrogen bonds stabilize the crystal structure. The calcium ion is bound to three glycerate anions and two water molecules, the two glycerate anions chelating the calcium ion with the α-carboxy oxygen and α-hydroxy oxygen, and third glycerate anion bonding to the calcium ion with β-hydroxy oxygen. Seven oxygens surround a calcium ion in a distorted pentagonal biprism arrangement with Ca–O distances ranging from 2.32 to 2.47 Å.

• 公益社団法人 日本化学会の論文

著者

• OSAKI Kenji

  Faculty of Pharmaceutical Science, Kyoto University

• Taga Tooru

  Faculty Of Pharmaceutical Science Kyoto University

• Ohashi Makoto

  Faculty of Pharmaceutical Sciences, Kyoto University

• Osaki Kenji

  Faculty of Pharmaceutical Sciences, Kyoto University

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