1-Benzyl-3-methyl­imidazolium chloride 0.25-hydrate

The asymmetric unit of the title compound, C(11)H(13)N(2) (+)·Cl(−), contains two independent ion pairs and and half a solvent water mol­ecule (m site symmetry for the O atom). The imidazole ring is oriented at dihedral angles of 66.61 (3) and 89.17 (3)° with respect to the aromatic ring in the two...

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Detalles Bibliográficos
Autores principales: Ji, Xiujie, Cheng, Bowen, Song, Jun, Liu, Chao
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980248/
https://www.ncbi.nlm.nih.gov/pubmed/21580102
http://dx.doi.org/10.1107/S1600536809053306
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author Ji, Xiujie
Cheng, Bowen
Song, Jun
Liu, Chao
author_facet Ji, Xiujie
Cheng, Bowen
Song, Jun
Liu, Chao
author_sort Ji, Xiujie
collection PubMed
description The asymmetric unit of the title compound, C(11)H(13)N(2) (+)·Cl(−), contains two independent ion pairs and and half a solvent water mol­ecule (m site symmetry for the O atom). The imidazole ring is oriented at dihedral angles of 66.61 (3) and 89.17 (3)° with respect to the aromatic ring in the two cations. In the crystal, O—H⋯(O,Cl) hydrogen bonds and π–π stacking inter­actions between the imidazole ring of one mol­ecule and the aromatic ring of another [perpendicular distance = 3.4 (4) Å] link the mol­ecules.
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spelling pubmed-29802482010-12-30 1-Benzyl-3-methyl­imidazolium chloride 0.25-hydrate Ji, Xiujie Cheng, Bowen Song, Jun Liu, Chao Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(11)H(13)N(2) (+)·Cl(−), contains two independent ion pairs and and half a solvent water mol­ecule (m site symmetry for the O atom). The imidazole ring is oriented at dihedral angles of 66.61 (3) and 89.17 (3)° with respect to the aromatic ring in the two cations. In the crystal, O—H⋯(O,Cl) hydrogen bonds and π–π stacking inter­actions between the imidazole ring of one mol­ecule and the aromatic ring of another [perpendicular distance = 3.4 (4) Å] link the mol­ecules. International Union of Crystallography 2009-12-19 /pmc/articles/PMC2980248/ /pubmed/21580102 http://dx.doi.org/10.1107/S1600536809053306 Text en © Ji 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
Ji, Xiujie
Cheng, Bowen
Song, Jun
Liu, Chao
1-Benzyl-3-methyl­imidazolium chloride 0.25-hydrate
title 1-Benzyl-3-methyl­imidazolium chloride 0.25-hydrate
title_full 1-Benzyl-3-methyl­imidazolium chloride 0.25-hydrate
title_fullStr 1-Benzyl-3-methyl­imidazolium chloride 0.25-hydrate
title_full_unstemmed 1-Benzyl-3-methyl­imidazolium chloride 0.25-hydrate
title_short 1-Benzyl-3-methyl­imidazolium chloride 0.25-hydrate
title_sort 1-benzyl-3-methyl­imidazolium chloride 0.25-hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980248/
https://www.ncbi.nlm.nih.gov/pubmed/21580102
http://dx.doi.org/10.1107/S1600536809053306
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AT chengbowen 1benzyl3methylimidazoliumchloride025hydrate
AT songjun 1benzyl3methylimidazoliumchloride025hydrate
AT liuchao 1benzyl3methylimidazoliumchloride025hydrate

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