3,5-二氯-3',4'-二甲氧基联苯
3,5-Dichloro-3',4'-dimethoxybiphenyl.
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, Iowa City, IA 52242, USA.
Department of Chemistry, University of Kentucky, Lexington, KY 40506, USA.
出版信息
IUCrdata. 2019 Apr;4(4). doi: 10.1107/s2414314619005182.
Abstract
3,5-Dichloro-3',4'-dimethoxybiphenyl, CHClO, is a dihydroxylated metabolite of 3,4-dichlorobiphenyl (PCB 14). The title compound displays π-π stacking interactions between inversion related chlorinated benzene rings, with an inter-planar stacking distance of 3.3695 (17) Å. The dihedral angle between the two benzene rings was 42.49 (6)°. The methoxy groups on the non-chlorinated ring lie essentially in the plane of the benzene ring, with dihedral angles of 4.0 (2)° and -2.07 (19)°.
摘要
3,5-二氯-3',4'-二甲氧基联苯（化学式：CHClO）是3,4-二氯联苯（多氯联苯14）的一种二羟基化代谢产物。该标题化合物在反演相关的氯化苯环之间表现出π-π堆积相互作用，平面间堆积距离为3.3695(17) Å。两个苯环之间的二面角为42.49(6)°。未氯化环上的甲氧基基本位于苯环平面内，二面角分别为4.0(2)°和 -2.07(19)°。
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