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1,3-Bis(3-phenylpropyl)-1H-benzimidazol-3-ium-2-carbodithioate
The title compound, C(26)H(26)N(2)S(2), was synthesized from bis[1,3-bis(3-phenylpropyl)benzimidazolidine-2-ylidene] and CS(2) in toluene. The molecular structure is composed of a benzimidazole ring system with two phenylpropyl substituents and a dithiocarboxylate group in the 2-position. T...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968085/ https://www.ncbi.nlm.nih.gov/pubmed/21581631 http://dx.doi.org/10.1107/S1600536808042761 |
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author | Akkurt, Mehmet Yılmaz, Ülkü Küçükbay, Hasan Gençaslan, Mustafa Büyükgüngör, Orhan |
author_facet | Akkurt, Mehmet Yılmaz, Ülkü Küçükbay, Hasan Gençaslan, Mustafa Büyükgüngör, Orhan |
author_sort | Akkurt, Mehmet |
collection | PubMed |
description | The title compound, C(26)H(26)N(2)S(2), was synthesized from bis[1,3-bis(3-phenylpropyl)benzimidazolidine-2-ylidene] and CS(2) in toluene. The molecular structure is composed of a benzimidazole ring system with two phenylpropyl substituents and a dithiocarboxylate group in the 2-position. The benzimidazole unit is essentially planar, with a maximum atomic deviation of 0.008 (2) Å, and makes dihedral angles of 72.72 (10) and 27.62 (12)°, with the two phenyl rings. The dihedral angle between the two phenyl rings is 55.98 (15)°. The molecular packing is stabilized by a C—H⋯S intermolecular hydrogen-bonding interaction and a C—H⋯π interaction between a benzene H atom and the phenyl ring of a neighbouring molecule. |
format | Text |
id | pubmed-2968085 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29680852010-12-30 1,3-Bis(3-phenylpropyl)-1H-benzimidazol-3-ium-2-carbodithioate Akkurt, Mehmet Yılmaz, Ülkü Küçükbay, Hasan Gençaslan, Mustafa Büyükgüngör, Orhan Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(26)H(26)N(2)S(2), was synthesized from bis[1,3-bis(3-phenylpropyl)benzimidazolidine-2-ylidene] and CS(2) in toluene. The molecular structure is composed of a benzimidazole ring system with two phenylpropyl substituents and a dithiocarboxylate group in the 2-position. The benzimidazole unit is essentially planar, with a maximum atomic deviation of 0.008 (2) Å, and makes dihedral angles of 72.72 (10) and 27.62 (12)°, with the two phenyl rings. The dihedral angle between the two phenyl rings is 55.98 (15)°. The molecular packing is stabilized by a C—H⋯S intermolecular hydrogen-bonding interaction and a C—H⋯π interaction between a benzene H atom and the phenyl ring of a neighbouring molecule. International Union of Crystallography 2008-12-20 /pmc/articles/PMC2968085/ /pubmed/21581631 http://dx.doi.org/10.1107/S1600536808042761 Text en © Akkurt 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 Akkurt, Mehmet Yılmaz, Ülkü Küçükbay, Hasan Gençaslan, Mustafa Büyükgüngör, Orhan 1,3-Bis(3-phenylpropyl)-1H-benzimidazol-3-ium-2-carbodithioate |
title | 1,3-Bis(3-phenylpropyl)-1H-benzimidazol-3-ium-2-carbodithioate |
title_full | 1,3-Bis(3-phenylpropyl)-1H-benzimidazol-3-ium-2-carbodithioate |
title_fullStr | 1,3-Bis(3-phenylpropyl)-1H-benzimidazol-3-ium-2-carbodithioate |
title_full_unstemmed | 1,3-Bis(3-phenylpropyl)-1H-benzimidazol-3-ium-2-carbodithioate |
title_short | 1,3-Bis(3-phenylpropyl)-1H-benzimidazol-3-ium-2-carbodithioate |
title_sort | 1,3-bis(3-phenylpropyl)-1h-benzimidazol-3-ium-2-carbodithioate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968085/ https://www.ncbi.nlm.nih.gov/pubmed/21581631 http://dx.doi.org/10.1107/S1600536808042761 |
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