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1,3-Bis(4-bromo­phen­yl)imidazolium chloride dihydrate

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 mol­ecules of crystallization also lie on a crystallographic twofold axis of symmetry....

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Autores principales: Garden, Simon J., Gama, Paola E., Tiekink, Edward R. T., Wardell, James L., Wardell, Solange M. S. V., Howie, R. Alan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979370/
https://www.ncbi.nlm.nih.gov/pubmed/21579512
http://dx.doi.org/10.1107/S1600536810018581
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author Garden, Simon J.
Gama, Paola E.
Tiekink, Edward R. T.
Wardell, James L.
Wardell, Solange M. S. V.
Howie, R. Alan
author_facet Garden, Simon J.
Gama, Paola E.
Tiekink, Edward R. T.
Wardell, James L.
Wardell, Solange M. S. V.
Howie, R. Alan
author_sort Garden, Simon J.
collection PubMed
description 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 mol­ecules 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 supra­molecular 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] inter­actions.
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spelling pubmed-29793702010-12-30 1,3-Bis(4-bromo­phen­yl)imidazolium chloride dihydrate Garden, Simon J. Gama, Paola E. Tiekink, Edward R. T. Wardell, James L. Wardell, Solange M. S. V. Howie, R. Alan Acta Crystallogr Sect E Struct Rep Online Organic Papers 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 mol­ecules 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 supra­molecular 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] inter­actions. International Union of Crystallography 2010-05-22 /pmc/articles/PMC2979370/ /pubmed/21579512 http://dx.doi.org/10.1107/S1600536810018581 Text en © Garden et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Garden, Simon J.
Gama, Paola E.
Tiekink, Edward R. T.
Wardell, James L.
Wardell, Solange M. S. V.
Howie, R. Alan
1,3-Bis(4-bromo­phen­yl)imidazolium chloride dihydrate
title 1,3-Bis(4-bromo­phen­yl)imidazolium chloride dihydrate
title_full 1,3-Bis(4-bromo­phen­yl)imidazolium chloride dihydrate
title_fullStr 1,3-Bis(4-bromo­phen­yl)imidazolium chloride dihydrate
title_full_unstemmed 1,3-Bis(4-bromo­phen­yl)imidazolium chloride dihydrate
title_short 1,3-Bis(4-bromo­phen­yl)imidazolium chloride dihydrate
title_sort 1,3-bis(4-bromo­phen­yl)imidazolium chloride dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979370/
https://www.ncbi.nlm.nih.gov/pubmed/21579512
http://dx.doi.org/10.1107/S1600536810018581
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