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2,3-二氯-3',4'-二羟基联苯

2,3-Dichloro-3',4'-dihydroxybiphenyl.

作者信息

Dhakal Ram, Parkin Sean, Lehmler Hans-Joachim

机构信息

The University of Iowa, Department of Occupational and Environmental Health, University of Iowa, Research Park, IREH, Iowa City, IA, 52242, USA.

Department of Chemistry, University of Kentucky, 117a Chemistry-Physics Bldg, Lexington, KY, 40506-0055, USA.

出版信息

IUCrdata. 2019 May;4(5). doi: 10.1107/s241431461900662x.

DOI:10.1107/s241431461900662x
PMID:32030359
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7004257/
Abstract

2,3-Dichloro-3',4'-dihydroxybiphenyl, CHClO, is a putative dihydroxylated metabolite of 2,3-dichlorobiphenyl (PCB 5). The title structure displays intramolecular O-H···O hydrogen bonding, and the π-π stacking distance between inversion related chlorinated benzene rings of the title compound is 3.371 (3) Å. The dihedral angle between two benzene rings is 59.39 (8)°.

摘要

2,3 - 二氯 - 3',4' - 二羟基联苯（CHClO）是2,3 - 二氯联苯（多氯联苯5）的一种假定的二羟基化代谢产物。标题化合物的结构呈现分子内O - H···O氢键，且该标题化合物中与反演相关的氯化苯环之间的π - π堆积距离为3.371(3) Å。两个苯环之间的二面角为59.39(8)°。

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