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1,3-Bis(3-phenyl­prop­yl)benzimidazolium bromide monohydrate

In the title compound, C(25)H(27)N(2) (+)·Br(−)·H(2)O, the benzimidazole unit is essentially planar, with a maximum deviation of 0.020 (6) Å. The benzimidazole unit makes dihedral angles of 83.6 (3) and 81.0 (3)° with the two terminal phenyl rings. The dihedral angle between the phenyl rings is 58.5...

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Autores principales: Akkurt, Mehmet, Karaca, Selvi, Yılmaz, Ülkü, Küçükbay, Hasan, Büyükgüngör, Orhan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959260/
https://www.ncbi.nlm.nih.gov/pubmed/21201214
http://dx.doi.org/10.1107/S1600536808030432
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author Akkurt, Mehmet
Karaca, Selvi
Yılmaz, Ülkü
Küçükbay, Hasan
Büyükgüngör, Orhan
author_facet Akkurt, Mehmet
Karaca, Selvi
Yılmaz, Ülkü
Küçükbay, Hasan
Büyükgüngör, Orhan
author_sort Akkurt, Mehmet
collection PubMed
description In the title compound, C(25)H(27)N(2) (+)·Br(−)·H(2)O, the benzimidazole unit is essentially planar, with a maximum deviation of 0.020 (6) Å. The benzimidazole unit makes dihedral angles of 83.6 (3) and 81.0 (3)° with the two terminal phenyl rings. The dihedral angle between the phenyl rings is 58.5 (4)°. In the crystal structure, there are C—H⋯O hydrogen bonds, a C—H⋯π inter­action between a phenyl H atom and the phenyl ring of a neighbouring mol­ecule, and a π–π inter­action [3.512 (3) Å] between the centroids of the five-membered ring and the benzene ring of the benzimidazole unit of an adjacent mol­ecule.
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spelling pubmed-29592602010-12-30 1,3-Bis(3-phenyl­prop­yl)benzimidazolium bromide monohydrate Akkurt, Mehmet Karaca, Selvi Yılmaz, Ülkü Küçükbay, Hasan Büyükgüngör, Orhan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(25)H(27)N(2) (+)·Br(−)·H(2)O, the benzimidazole unit is essentially planar, with a maximum deviation of 0.020 (6) Å. The benzimidazole unit makes dihedral angles of 83.6 (3) and 81.0 (3)° with the two terminal phenyl rings. The dihedral angle between the phenyl rings is 58.5 (4)°. In the crystal structure, there are C—H⋯O hydrogen bonds, a C—H⋯π inter­action between a phenyl H atom and the phenyl ring of a neighbouring mol­ecule, and a π–π inter­action [3.512 (3) Å] between the centroids of the five-membered ring and the benzene ring of the benzimidazole unit of an adjacent mol­ecule. International Union of Crystallography 2008-09-27 /pmc/articles/PMC2959260/ /pubmed/21201214 http://dx.doi.org/10.1107/S1600536808030432 Text en © Akkurt et al. 2008 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
Akkurt, Mehmet
Karaca, Selvi
Yılmaz, Ülkü
Küçükbay, Hasan
Büyükgüngör, Orhan
1,3-Bis(3-phenyl­prop­yl)benzimidazolium bromide monohydrate
title 1,3-Bis(3-phenyl­prop­yl)benzimidazolium bromide monohydrate
title_full 1,3-Bis(3-phenyl­prop­yl)benzimidazolium bromide monohydrate
title_fullStr 1,3-Bis(3-phenyl­prop­yl)benzimidazolium bromide monohydrate
title_full_unstemmed 1,3-Bis(3-phenyl­prop­yl)benzimidazolium bromide monohydrate
title_short 1,3-Bis(3-phenyl­prop­yl)benzimidazolium bromide monohydrate
title_sort 1,3-bis(3-phenyl­prop­yl)benzimidazolium bromide monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959260/
https://www.ncbi.nlm.nih.gov/pubmed/21201214
http://dx.doi.org/10.1107/S1600536808030432
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