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5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole–6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole (0.94/0.06)
There are two independent molecules in the asymmetric unit of the title compound, C(16)H(11)ClN(2)S(2). The structure exhibits rotational disorder of the 2-thiophen-2-yl substituent in each of the unique molecules with a major:minor component ratio of 0.927 (2):0.073 (2). For one of the symmetry-...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3790407/ https://www.ncbi.nlm.nih.gov/pubmed/24098226 http://dx.doi.org/10.1107/S1600536813024999 |
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author | Geiger, David K. Nellist, Michael R. |
author_facet | Geiger, David K. Nellist, Michael R. |
author_sort | Geiger, David K. |
collection | PubMed |
description | There are two independent molecules in the asymmetric unit of the title compound, C(16)H(11)ClN(2)S(2). The structure exhibits rotational disorder of the 2-thiophen-2-yl substituent in each of the unique molecules with a major:minor component ratio of 0.927 (2):0.073 (2). For one of the symmetry-unique molecules, 6.0 (2)% of the sites are occupied by the 6-chloro-isomer. The major component thiophene rings make dihedral angles of 38.90 (12) and 36.32 (11)° with the benzimidazole rings in the two independent molecules. In the crystal, molecules are linked into chains parallel to [100] via weak C—H⋯N interactions. |
format | Online Article Text |
id | pubmed-3790407 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37904072013-10-04 5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole–6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole (0.94/0.06) Geiger, David K. Nellist, Michael R. Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two independent molecules in the asymmetric unit of the title compound, C(16)H(11)ClN(2)S(2). The structure exhibits rotational disorder of the 2-thiophen-2-yl substituent in each of the unique molecules with a major:minor component ratio of 0.927 (2):0.073 (2). For one of the symmetry-unique molecules, 6.0 (2)% of the sites are occupied by the 6-chloro-isomer. The major component thiophene rings make dihedral angles of 38.90 (12) and 36.32 (11)° with the benzimidazole rings in the two independent molecules. In the crystal, molecules are linked into chains parallel to [100] via weak C—H⋯N interactions. International Union of Crystallography 2013-09-12 /pmc/articles/PMC3790407/ /pubmed/24098226 http://dx.doi.org/10.1107/S1600536813024999 Text en © Geiger and Nellist 2013 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 Geiger, David K. Nellist, Michael R. 5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole–6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole (0.94/0.06) |
title | 5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole–6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole (0.94/0.06) |
title_full | 5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole–6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole (0.94/0.06) |
title_fullStr | 5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole–6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole (0.94/0.06) |
title_full_unstemmed | 5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole–6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole (0.94/0.06) |
title_short | 5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole–6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole (0.94/0.06) |
title_sort | 5-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1h-benzimidazole–6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1h-benzimidazole (0.94/0.06) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3790407/ https://www.ncbi.nlm.nih.gov/pubmed/24098226 http://dx.doi.org/10.1107/S1600536813024999 |
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