2,5-二溴-3,6-二甲氧基环己-2,5-二烯-1,4-二酮
2,5-Di-bromo-3,6-dimeth-oxycyclo-hexa-2,5-diene-1,4-dione.
作者信息
Orhan Ersin, Garci Amine, Therrien Bruno
机构信息
Institut de Chimie, Université de Neuchâtel, Avenue de Bellevaux 51, CH-2000 Neuchâtel, Switzerland.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 May 24;70(Pt 6):o715. doi: 10.1107/S1600536814011787. eCollection 2014 Jun 1.
In the structure of the title compound, C8H6Br2O4, the complete mol-ecule is generated by the application of a centre of inversion. The mol-ecule is planar (r.m.s. deviation for all non-H atoms but methyl C = 0.0358 Å), with only the methyl groups being deviated from the plane [by ±0.321 (4) Å]. In the crystal packing, Br⋯O(methoxy) halogen bonds [3.2407 (19) Å] connect molecules into supramolecular layers parallel to (101).
在标题化合物C₈H₆Br₂O₄的结构中，整个分子通过一个反演中心生成。分子呈平面状（所有非氢原子的均方根偏差，但甲基碳为0.0358 Å），只有甲基偏离平面[偏差±0.321(4) Å]。在晶体堆积中，Br⋯O（甲氧基）卤键[3.2407(19) Å]将分子连接成平行于(101)的超分子层。
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