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(2R,3R)-(+)-2,3-二甲氧基丁二酸[(+)-酒石酸二甲醚]中的氢键作用

Hydrogen bonding in (2R,3R)-(+)-2,3-dimethoxybutanedioic acid [(+)-tartaric acid dimethyl ether].

作者信息

Gerkin R E

机构信息

Department of Chemistry, Ohio State University, Columbus 43210, USA.

出版信息

Acta Crystallogr C. 1999 Feb 15;55 ( Pt 2):209-11. doi: 10.1107/s0108270198012694.

Abstract

The title acid, C6H10O6, crystallized in the non-centrosymmetric space group I2, with half a molecule in the asymmetric unit (the molecular symmetry is 2). In the single type of hydrogen bond, the carboxylic H atom is ordered, and the OD...OA distance is 2.665 (2) A. Each molecule is linked to four others by hydrogen bonds and to two others by C-H...O interactions. The dihedral angle between intramolecular carboxyl-group planes is 85.2 (1) degree.

摘要

该标题酸,化学式为C6H10O6,结晶于非中心对称空间群I2中,不对称单元中有半个分子(分子对称性为2)。在单一类型的氢键中,羧基氢原子有序排列,OD...OA距离为2.665(2) Å。每个分子通过氢键与另外四个分子相连,并通过C-H...O相互作用与另外两个分子相连。分子内羧基平面之间的二面角为85.2(1)度。

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