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1,3-Bis(4-bromo-phen-yl)imidazolium chloride dihydrate.

作者信息

Garden Simon J, Gama Paola E, Tiekink Edward R T, Wardell James L, Wardell Solange M S V, Howie R Alan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 May 22;66(Pt 6):o1438-9. doi: 10.1107/S1600536810018581.

Abstract

In the title hydrated salt, C(15)H(11)Br(2)N(2) (+)·Cl(-)·2H(2)O, the complete imidazolium cation is generated by a crystallographic twofold axis, with one C atom lying on the axis. The chloride ion and both water mol-ecules of crystallization also lie on a crystallographic twofold axis of symmetry. The cation is non-planar, the dihedral angle formed between the central imidazolium and benzene rings being 12.9 (3)°; the dihedral angle between the symmetry-related benzene rings is 25.60 (13)°. In the crystal, O-H⋯Cl hydrogen bonds result in supra-molecular chains along c mediated by eight-membered {⋯HOH⋯Cl}(2) synthons. These are consolidated by C-H⋯O and π-π [centroid-centroid distance = 3.687 (3) Å] inter-actions.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d281/2979370/526f4f61f675/e-66-o1438-fig1.jpg

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