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4,4',6,6'-四甲基联苯-2,2'-二羧酸中的氢键

Hydrogen bonding in 4,4',6,6'-tetramethyl-biphenyl-2,2'-dicarboxylic acid.

作者信息

Dobson A J, 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):203-6. doi: 10.1107/s0108270198012761.

Abstract

The title compound, C18H18O4, crystallizes in the centrosymmetric space group P2(1)/c, with two molecules in the asymmetric unit. Each of the four independent carboxylic H atoms is ordered, and each participates in hydrogen bonding. The OD...OA distances in the hydrogen bonds are 2.598 (3), 2.608 (3), 2.652 (3) and 2.641 (3) A. Two cyclic hydrogen-bonded dimers are found, neither occurring about a center of symmetry; each, however, occurs about a pseudo-center. Numerous hydrogen-bonded chains, all propagating along [010], are also present. The biphenyl twist angles are 88.4 (2) and 87.5 (2) degrees. Structural comparisons are made with the structures of the 'parent' compound, diphenic acid, and its 4,4'- and 6,6'-dimethyl derivatives.

摘要

标题化合物C18H18O4结晶于中心对称空间群P2(1)/c中,不对称单元中有两个分子。四个独立的羧基氢原子均为有序排列,且每个都参与氢键形成。氢键中的OD...OA距离分别为2.598(3)、2.608(3)、2.652(3)和2.641(3)埃。发现了两个环状氢键二聚体,均不是围绕对称中心形成;然而,每个都是围绕一个假中心形成。还存在许多均沿[010]方向延伸的氢键链。联苯扭转角分别为88.4(2)度和87.5(2)度。将其结构与“母体”化合物二苯二甲酸及其4,4'-和6,6'-二甲基衍生物的结构进行了比较。

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