1-(4-tert-Butyl­benz­yl)-3-(3,4,5-tri­methoxy­benz­yl)benzimidazolium bromide monohydrate

A novel N-heterocyclic carbene derivative, C(28)H(33)N(2)O(3) (+)·Br(−)·H(2)O, was synthesized and characterized by elemental analysis, (1)H and (13)C-NMR and IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by π⋯π stacking inter­actions (face–face...

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Autores principales: Arslan, Hakan, VanDerveer, Don, Demir, Serpil, Özdemir, İsmail, Çetinkaya, Bekir
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968113/
https://www.ncbi.nlm.nih.gov/pubmed/21581662
http://dx.doi.org/10.1107/S1600536808043250
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author Arslan, Hakan
VanDerveer, Don
Demir, Serpil
Özdemir, İsmail
Çetinkaya, Bekir
author_facet Arslan, Hakan
VanDerveer, Don
Demir, Serpil
Özdemir, İsmail
Çetinkaya, Bekir
author_sort Arslan, Hakan
collection PubMed
description A novel N-heterocyclic carbene derivative, C(28)H(33)N(2)O(3) (+)·Br(−)·H(2)O, was synthesized and characterized by elemental analysis, (1)H and (13)C-NMR and IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by π⋯π stacking inter­actions (face–face separation 3.441 Å) and C—H⋯Br and O—H⋯Br inter­actions. Intra- and intermolecular C—H⋯O inter­actions are also present. The C—N bond lengths for the compound [1.329 (3), 1.325 (3), 1.389 (3) and 1.391 (3) Å] are all shorter than the average single C—N bond length of 1.48 Å, thus showing varying degrees of double-bond character.
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spelling pubmed-29681132010-12-30 1-(4-tert-Butyl­benz­yl)-3-(3,4,5-tri­methoxy­benz­yl)benzimidazolium bromide monohydrate Arslan, Hakan VanDerveer, Don Demir, Serpil Özdemir, İsmail Çetinkaya, Bekir Acta Crystallogr Sect E Struct Rep Online Organic Papers A novel N-heterocyclic carbene derivative, C(28)H(33)N(2)O(3) (+)·Br(−)·H(2)O, was synthesized and characterized by elemental analysis, (1)H and (13)C-NMR and IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by π⋯π stacking inter­actions (face–face separation 3.441 Å) and C—H⋯Br and O—H⋯Br inter­actions. Intra- and intermolecular C—H⋯O inter­actions are also present. The C—N bond lengths for the compound [1.329 (3), 1.325 (3), 1.389 (3) and 1.391 (3) Å] are all shorter than the average single C—N bond length of 1.48 Å, thus showing varying degrees of double-bond character. International Union of Crystallography 2008-12-24 /pmc/articles/PMC2968113/ /pubmed/21581662 http://dx.doi.org/10.1107/S1600536808043250 Text en © Arslan et al. 2009 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
Arslan, Hakan
VanDerveer, Don
Demir, Serpil
Özdemir, İsmail
Çetinkaya, Bekir
1-(4-tert-Butyl­benz­yl)-3-(3,4,5-tri­methoxy­benz­yl)benzimidazolium bromide monohydrate
title 1-(4-tert-Butyl­benz­yl)-3-(3,4,5-tri­methoxy­benz­yl)benzimidazolium bromide monohydrate
title_full 1-(4-tert-Butyl­benz­yl)-3-(3,4,5-tri­methoxy­benz­yl)benzimidazolium bromide monohydrate
title_fullStr 1-(4-tert-Butyl­benz­yl)-3-(3,4,5-tri­methoxy­benz­yl)benzimidazolium bromide monohydrate
title_full_unstemmed 1-(4-tert-Butyl­benz­yl)-3-(3,4,5-tri­methoxy­benz­yl)benzimidazolium bromide monohydrate
title_short 1-(4-tert-Butyl­benz­yl)-3-(3,4,5-tri­methoxy­benz­yl)benzimidazolium bromide monohydrate
title_sort 1-(4-tert-butyl­benz­yl)-3-(3,4,5-tri­methoxy­benz­yl)benzimidazolium bromide monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968113/
https://www.ncbi.nlm.nih.gov/pubmed/21581662
http://dx.doi.org/10.1107/S1600536808043250
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