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1-溴-2,3,6-三氯-4,5-二甲氧基苯

1-Bromo-2,3,6-trichloro-4,5-dimethoxy-benzene.

作者信息

Song Yang, Parkin Sean, Lehmler Hans-Joachim

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jan 30;66(Pt 2):o487. doi: 10.1107/S1600536810002977.

Abstract

The halogen atoms of the title compound, C(8)H(6)BrCl(3)O(2), are located within the plane of the benzene ring [r.m.s. deviation = 0.036 (11) Å]. The two meth-oxy groups are twisted out of this plane, with dihedral angles of 84.7 (3) and 68.5 (3)°, and point in opposite directions. The structure is disordered by a non-crystallographic twofold rotation which superimposes Cl and Br at two of the halogen sites. The refined occupancies for the major and minor components are 0.517 (2) and 0.483 (2).

摘要

标题化合物C(8)H(6)BrCl(3)O(2)的卤素原子位于苯环平面内[r.m.s.偏差 = 0.036 (11) Å]。两个甲氧基扭转出该平面,二面角分别为84.7 (3)°和68.5 (3)°,且方向相反。该结构因非晶体学二重旋转而无序,在两个卤素位点上Cl和Br相互叠加。主要和次要组分的精修占有率分别为0.517 (2)和0.483 (2)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b343/2979667/3809fd1f485c/e-66-0o487-fig1.jpg

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