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1,1',2,2'-四甲基-3,3'-(对苯二亚甲基)二咪唑-1-鎓二溴化物

1,1',2,2'-Tetra-methyl-3,3'-(p-phenyl-enedimethyl-ene)diimidazol-1-ium dibromide.

作者信息

Puvaneswary Subramaniam, Alias Yatimah, Ng Seik Weng

机构信息

Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 11;65(Pt 8):o1828. doi: 10.1107/S1600536809026324.

DOI:10.1107/S1600536809026324
PMID:21583530
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977381/
Abstract

The title imidazolium-based ionic-liquid salt, C(18)H(24)N(4) (2+)·2Br(-), has the cation lying about a center of inversion. The five-membered imidazole ring is disordered over two positions with the major component having a site occupancy of 0.712 (4); the N-bound methyl substituents are ordered. The imidazole ring is approximately perpendicular to the six-membered phenyl-ene ring [dihedral angle = 80.7 (5)° for the major disorder component and 89.8 (3)° for the other; the two components are off-set by 10.1 (6)°].

摘要

标题为咪唑基离子液体盐C(18)H(24)N(4)(2+)·2Br(-)，其阳离子位于一个对称中心周围。五元咪唑环在两个位置上无序，主要组分的位点占有率为0.712 (4)；与氮相连的甲基取代基是有序的。咪唑环与六元亚苯基环近似垂直[主要无序组分的二面角 = 80.7 (5)°，另一个为89.8 (3)°；两个组分偏移10.1 (6)°]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7071/2977381/92733c51b04d/e-65-o1828-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7071/2977381/92733c51b04d/e-65-o1828-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7071/2977381/92733c51b04d/e-65-o1828-fig1.jpg

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本文引用的文献

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Imidazolium-based ionic liquid salts: 3,3'-dimethyl-1,1'-(1,4-phenylenedimethylene)diimidazolium bis(tetrafluoroborate) and 3,3'-di-n-butyl-1,1'-(1,4-phenylenedimethylene)diimidazolium bis(trifluoromethanesulfonate).基于咪唑鎓的离子液体盐：3,3'-二甲基-1,1'-(1,4-亚苯基二亚甲基)二咪唑鎓双(四氟硼酸)盐和3,3'-二正丁基-1,1'-(1,4-亚苯基二亚甲基)二咪唑鎓双(三氟甲磺酸盐) 。
Acta Crystallogr C. 2008 Sep;64(Pt 9):o478-80. doi: 10.1107/S0108270108023111. Epub 2008 Aug 9.
2
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.