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4-溴苯甲酸-2-（4-溴苯基）-2-氧代乙酯

2-(4-Bromo-phen-yl)-2-oxoethyl 4-bromo-benzoate.

作者信息

Fun Hoong-Kun, Arshad Suhana, Garudachari B, Isloor Arun M, Satyanarayan M N

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1582-3. doi: 10.1107/S1600536811020654. Epub 2011 Jun 4.

DOI:10.1107/S1600536811020654
PMID:21836992
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3152043/
Abstract

The asymmetric unit of the title compound, C(15)H(10)Br(2)O(3), consists of three crystallographically independent mol-ecules (A, B and C). The phenyl rings in mol-ecules A, B and C make dihedral angles of 6.1 (3), 3.2 (2) and 54.6 (2)° to each other, respectively. In the crystal, mol-ecules are linked into two-dimensional layers parallel to the ab plane by inter-molecular C-H⋯O hydrogen bonds. The crystal structure is further stabilized by C-H⋯π inter-actions. The studied crystal is an inversion twin, the refined ratio of the twin components being 0.128 (8):0.872 (8).

摘要

标题化合物C(15)H(10)Br(2)O(3)的不对称单元由三个晶体学独立的分子（A、B和C）组成。分子A、B和C中的苯环彼此之间的二面角分别为6.1 (3)、3.2 (2)和54.6 (2)°。在晶体中，分子通过分子间C-H⋯O氢键连接成平行于ab平面的二维层。晶体结构通过C-H⋯π相互作用进一步稳定。所研究的晶体是一个倒反孪晶，孪晶组分的精修比例为0.128 (8):0.872 (8)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5072/3152043/6bf3af4a4434/e-67-o1582-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5072/3152043/b12b88112aa6/e-67-o1582-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5072/3152043/6bf3af4a4434/e-67-o1582-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5072/3152043/b12b88112aa6/e-67-o1582-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5072/3152043/6bf3af4a4434/e-67-o1582-fig2.jpg

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