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二甲基联苯-4,4'-二羧酸酯

Dimethyl biphenyl-4,4'-dicarboxyl-ate.

作者信息

Ritzerfeld Verena, Pyrlik Axel, Wang Yutian, Englert Ulli

机构信息

Institut für Anorganische Chemie, RWTH Aachen, Landoltweg 1, 52074 Aachen, Germany.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 24;65(Pt 7):o1677. doi: 10.1107/S1600536809023605.

DOI:10.1107/S1600536809023605
PMID:21582936
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969505/
Abstract

The asymmetric unit of the title compound, C(16)H(14)O(4), consists of one half-mol-ecule of an essentially planar biphenyl-dicarboxylic acid ester, with the complete molecule generated by an inversion centre. The maximum deviation from a least-squares plane through all non-H atoms occurs for the peripheric methyl groups and amounts to 0.124 (2) Å. The solid represents a typical mol-ecular crystal without classical hydrogen bonds. The shortest inter-molecular contacts do not differ significantly from the sum of the van der Waals radii of the atoms involved.

摘要

标题化合物C(16)H(14)O(4)的不对称单元由一个基本上呈平面状的联苯二甲酸酯的半分子组成,完整分子由一个对称中心产生。通过所有非H原子的最小二乘平面的最大偏差出现在外围甲基上,为0.124 (2) Å。该固体代表一种典型的分子晶体,不存在经典氢键。最短的分子间接触与所涉及原子的范德华半径之和没有显著差异。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f887/2969505/2b7af37b8d8a/e-65-o1677-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f887/2969505/caffd8459b19/e-65-o1677-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f887/2969505/2b7af37b8d8a/e-65-o1677-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f887/2969505/caffd8459b19/e-65-o1677-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f887/2969505/2b7af37b8d8a/e-65-o1677-fig2.jpg

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