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1,1',2,2'-四甲基-3,3'-(对苯二亚甲基)二咪唑-1-鎓双(六氟磷酸盐)

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

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):o1830. doi: 10.1107/S1600536809026336.

DOI:10.1107/S1600536809026336
PMID:21583532
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977199/
Abstract

The title imidazolium-based ionic-liquid salt, C(18)H(24)N(4) (2+)·2PF(6) (-), has the cation lying about a center of inversion. The five-membered imidazole ring is disordered over two positions (the methyl substituents are ordered). This imidazole ring is approximately perpendicular to the six-membered phenyl-ene ring [dihedral angle = 81.3 (8)° for one disorder component and 83.8 (8)° for the other; the two components are off-set by 2.7 (8)°]. The crystal is a non-merohedral twin with a twin component of 23%.

摘要

标题为基于咪唑鎓的离子液体盐C(18)H(24)N(4)(2+)·2PF(6)(-),其阳离子位于一个反演中心周围。五元咪唑环在两个位置上无序(甲基取代基有序)。该咪唑环大致垂直于六元亚苯基环[一个无序组分的二面角为81.3 (8)°,另一个为83.8 (8)°;两个组分相差2.7 (8)°]。该晶体是一个非镜像孪晶,孪晶组分占23%。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d91/2977199/413403de93fd/e-65-o1830-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d91/2977199/413403de93fd/e-65-o1830-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d91/2977199/413403de93fd/e-65-o1830-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.