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1,3-双-(2,6-二异丙基苯基)-4,5-二甲基-1H-咪唑-3-溴化铵二氯甲烷溶剂化物的晶体结构

Crystal structure of 1,3-bis-(2,6-diiso-propyl-phen-yl)-4,5-dimethyl-1H-imid-azol-3-ium bromide di-chloro-methane disolvate.

作者信息

Berger Matthias, Auner Norbert, Bolte Michael

机构信息

Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt/Main, Germany.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 24;70(Pt 11):o1193-4. doi: 10.1107/S1600536814023150. eCollection 2014 Nov 1.

Abstract

The title solvated salt, C29H41N2 (+)·Br(-)·2CH2Cl2 was obtained from the reaction of the Arduengo-type carbene 1,3-bis-(2,6-diiso-propyl-phen-yl)-1,3-dihydro-4,5-dimethyl-2H-imidazol-2-ylidene with Si2Br6 in di-chloro-methane. The complete cation is generated by a crystallographic mirror plane and the dihedral angle between the five-membered ring and the benzene ring is 89.8 (6)°; the dihedral angle between the benzene rings is 40.7 (2)°. The anion also lies on the mirror plane and both di-chloro-methane mol-ecules are disordered across the mirror plane over two equally occupied orientations. In the crystal, the cations are linked to the anions via C-H⋯Br hydrogen bonds.

摘要

标题溶剂化盐C29H41N2(+)·Br(-)·2CH2Cl2是由阿杜恩戈型卡宾1,3-双-(2,6-二异丙基苯基)-1,3-二氢-4,5-二甲基-2H-咪唑-2-亚基与Si2Br6在二氯甲烷中反应得到的。完整的阳离子由一个晶体学镜面生成,五元环与苯环之间的二面角为89.8 (6)°;苯环之间的二面角为40.7 (2)°。阴离子也位于镜面上,两个二氯甲烷分子在镜面上以两个同等占据的取向无序排列。在晶体中,阳离子通过C-H⋯Br氢键与阴离子相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6c1e/4257239/cd003acecfde/e-70-o1193-fig1.jpg

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