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Crystal structure of 1,3-bis­(4-methyl­benz­yl)-1H-1,3-benzimidazol-3-ium bromide monohydrate

In the title hydrated symetrically substituted 1,3-bis­(4-methyl­benz­yl)benzimidazolium salt, C(23)H(23)N(2) (+)·Br(−)·H(2)O, the dihedral angles between the benzimidazole ring system (r.m.s. deviation = 0.003 Å) and the pendant benzene rings are 73.18 (16) and 77.52 (16)°. Both benzene rings lie t...

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Autores principales: Çelikesir, Sevim Türktekin, Çelik, Ömer, Akkoç, Senem, İlhan, İlhan Özer, Gök, Yetkin, Akkurt, Mehmet
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331869/
https://www.ncbi.nlm.nih.gov/pubmed/25705478
http://dx.doi.org/10.1107/S2056989014025857
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author Çelikesir, Sevim Türktekin
Çelik, Ömer
Akkoç, Senem
İlhan, İlhan Özer
Gök, Yetkin
Akkurt, Mehmet
author_facet Çelikesir, Sevim Türktekin
Çelik, Ömer
Akkoç, Senem
İlhan, İlhan Özer
Gök, Yetkin
Akkurt, Mehmet
author_sort Çelikesir, Sevim Türktekin
collection PubMed
description In the title hydrated symetrically substituted 1,3-bis­(4-methyl­benz­yl)benzimidazolium salt, C(23)H(23)N(2) (+)·Br(−)·H(2)O, the dihedral angles between the benzimidazole ring system (r.m.s. deviation = 0.003 Å) and the pendant benzene rings are 73.18 (16) and 77.52 (16)°. Both benzene rings lie to the same side of the benzimidazole ring system, giving the cation an overall U-shape. In the crystal, the cation is linked to the water mol­ecule by a short C—H⋯O hydrogen bond and the water mol­ecule forms O—H⋯Br hydrogen bonds. Together, these inter­actions lead to [010] chains. The packing is consolidated by C—H⋯Br hydrogen bonds and aromatic π–π stacking inter­actions [centroid–centroid distances = 3.5401 (17) and 3.8815 (18) Å], generating a three-dimensional network.
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spelling pubmed-43318692015-02-20 Crystal structure of 1,3-bis­(4-methyl­benz­yl)-1H-1,3-benzimidazol-3-ium bromide monohydrate Çelikesir, Sevim Türktekin Çelik, Ömer Akkoç, Senem İlhan, İlhan Özer Gök, Yetkin Akkurt, Mehmet Acta Crystallogr E Crystallogr Commun Data Reports In the title hydrated symetrically substituted 1,3-bis­(4-methyl­benz­yl)benzimidazolium salt, C(23)H(23)N(2) (+)·Br(−)·H(2)O, the dihedral angles between the benzimidazole ring system (r.m.s. deviation = 0.003 Å) and the pendant benzene rings are 73.18 (16) and 77.52 (16)°. Both benzene rings lie to the same side of the benzimidazole ring system, giving the cation an overall U-shape. In the crystal, the cation is linked to the water mol­ecule by a short C—H⋯O hydrogen bond and the water mol­ecule forms O—H⋯Br hydrogen bonds. Together, these inter­actions lead to [010] chains. The packing is consolidated by C—H⋯Br hydrogen bonds and aromatic π–π stacking inter­actions [centroid–centroid distances = 3.5401 (17) and 3.8815 (18) Å], generating a three-dimensional network. International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331869/ /pubmed/25705478 http://dx.doi.org/10.1107/S2056989014025857 Text en © Çelikesir et al. 2015 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 Data Reports
Çelikesir, Sevim Türktekin
Çelik, Ömer
Akkoç, Senem
İlhan, İlhan Özer
Gök, Yetkin
Akkurt, Mehmet
Crystal structure of 1,3-bis­(4-methyl­benz­yl)-1H-1,3-benzimidazol-3-ium bromide monohydrate
title Crystal structure of 1,3-bis­(4-methyl­benz­yl)-1H-1,3-benzimidazol-3-ium bromide monohydrate
title_full Crystal structure of 1,3-bis­(4-methyl­benz­yl)-1H-1,3-benzimidazol-3-ium bromide monohydrate
title_fullStr Crystal structure of 1,3-bis­(4-methyl­benz­yl)-1H-1,3-benzimidazol-3-ium bromide monohydrate
title_full_unstemmed Crystal structure of 1,3-bis­(4-methyl­benz­yl)-1H-1,3-benzimidazol-3-ium bromide monohydrate
title_short Crystal structure of 1,3-bis­(4-methyl­benz­yl)-1H-1,3-benzimidazol-3-ium bromide monohydrate
title_sort crystal structure of 1,3-bis­(4-methyl­benz­yl)-1h-1,3-benzimidazol-3-ium bromide monohydrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331869/
https://www.ncbi.nlm.nih.gov/pubmed/25705478
http://dx.doi.org/10.1107/S2056989014025857
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