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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....
Autores principales: | , , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-2979370 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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