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2,4-双[(3-丁基-咪唑-3-鎓-1-基)甲基]-1,3,5-三甲基苯双(六氟磷酸盐)

2,4-Bis[(3-butyl-imidazol-3-ium-1-yl)meth-yl]-1,3,5-trimethyl-benzene bis-(hexa-fluoro-phosphate).

作者信息

Haque Rosenani A, Salman Abbas Washeel, Hemamalini Madhukar, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 5;67(Pt 3):o562-3. doi: 10.1107/S1600536811003916.

DOI:10.1107/S1600536811003916
PMID:21522326
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3052114/
Abstract

In the title molecular salt, C(25)H(38)N(4) (2+)·2PF(6) (-), one of the butyl groups and four F atoms in the basal plane of one of the PF(6) (-) octa-hedra are disordered over two sets of sites, with occupancy ratios of 0.704 (5):0.296 (5) and 0.71 (3):0.29 (3), respectively. The central benzene ring makes dihedral angles of 85.17 (12) and 81.97 (12)° with the terminal imidazole rings. In the crystal, cations and anions are linked together via inter-molecular C-H⋯F hydrogen bonds forming a three-dimensional network.

摘要

在标题分子盐C(25)H(38)N(4)(2+)·2PF(6)(-)中,其中一个PF(6)(-)八面体底面的一个丁基和四个氟原子在两组位置上无序排列,占有率分别为0.704 (5):0.296 (5)和0.71 (3):0.29 (3)。中心苯环与末端咪唑环的二面角分别为85.17 (12)°和81.97 (12)°。在晶体中,阳离子和阴离子通过分子间C-H⋯F氢键连接在一起,形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd94/3052114/59cac56f9719/e-67-0o562-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd94/3052114/67f63a7cf02e/e-67-0o562-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd94/3052114/59cac56f9719/e-67-0o562-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd94/3052114/67f63a7cf02e/e-67-0o562-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd94/3052114/59cac56f9719/e-67-0o562-fig2.jpg

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