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Ethyl 1-sec-butyl-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate
In the title compound, C(20)H(21)ClN(2)O(2), the ethyl 1H-benzimidazole-5-carboxylate ring system, excluding the methylene and methyl H atoms, is almost planar, with a maximum deviation of 0.055 (1) Å, and makes a dihedral angle of 40.63 (4)° with the benzene ring. The sec-butyl group is disordere...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008004/ https://www.ncbi.nlm.nih.gov/pubmed/21588740 http://dx.doi.org/10.1107/S1600536810033945 |
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author | Arumugam, Natarajan Abdul Rahim, Aisyah Saad Osman, Hasnah Quah, Ching Kheng Fun, Hoong-Kun |
author_facet | Arumugam, Natarajan Abdul Rahim, Aisyah Saad Osman, Hasnah Quah, Ching Kheng Fun, Hoong-Kun |
author_sort | Arumugam, Natarajan |
collection | PubMed |
description | In the title compound, C(20)H(21)ClN(2)O(2), the ethyl 1H-benzimidazole-5-carboxylate ring system, excluding the methylene and methyl H atoms, is almost planar, with a maximum deviation of 0.055 (1) Å, and makes a dihedral angle of 40.63 (4)° with the benzene ring. The sec-butyl group is disordered over two positions, with refined site occupancies of 0.855 (4) and 0.145 (4). In the crystal, molecules are linked into chains along [010] via intermolecular C—H⋯O hydrogen bonds and are further interconnected by C—H⋯Cl interactions into two-dimensional networks parallel to (001). The crystal structure is further consolidated by C—H⋯π interactions. |
format | Text |
id | pubmed-3008004 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30080042010-12-30 Ethyl 1-sec-butyl-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate Arumugam, Natarajan Abdul Rahim, Aisyah Saad Osman, Hasnah Quah, Ching Kheng Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(21)ClN(2)O(2), the ethyl 1H-benzimidazole-5-carboxylate ring system, excluding the methylene and methyl H atoms, is almost planar, with a maximum deviation of 0.055 (1) Å, and makes a dihedral angle of 40.63 (4)° with the benzene ring. The sec-butyl group is disordered over two positions, with refined site occupancies of 0.855 (4) and 0.145 (4). In the crystal, molecules are linked into chains along [010] via intermolecular C—H⋯O hydrogen bonds and are further interconnected by C—H⋯Cl interactions into two-dimensional networks parallel to (001). The crystal structure is further consolidated by C—H⋯π interactions. International Union of Crystallography 2010-08-28 /pmc/articles/PMC3008004/ /pubmed/21588740 http://dx.doi.org/10.1107/S1600536810033945 Text en © Arumugam et al. 2010 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 Arumugam, Natarajan Abdul Rahim, Aisyah Saad Osman, Hasnah Quah, Ching Kheng Fun, Hoong-Kun Ethyl 1-sec-butyl-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate |
title | Ethyl 1-sec-butyl-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate |
title_full | Ethyl 1-sec-butyl-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate |
title_fullStr | Ethyl 1-sec-butyl-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate |
title_full_unstemmed | Ethyl 1-sec-butyl-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate |
title_short | Ethyl 1-sec-butyl-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate |
title_sort | ethyl 1-sec-butyl-2-(4-chlorophenyl)-1h-benzimidazole-5-carboxylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008004/ https://www.ncbi.nlm.nih.gov/pubmed/21588740 http://dx.doi.org/10.1107/S1600536810033945 |
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