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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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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. |
format | Text |
id | pubmed-2959260 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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