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4-Chloro-N-(2,6-dimethylphenyl)benzamide
The conformations of the N—H and C=O bonds in the structure of the title compound (N26DMP4CBA), C(15)H(14)ClNO, are anti to each other, similar to that observed in N-phenylbenzamide, N-(3,4-dimethylphenyl)benzamide, N-(2,6-dichlorophenyl)benzamide and other benzanilides. There are three molecu...
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/PMC2961789/ https://www.ncbi.nlm.nih.gov/pubmed/21202983 http://dx.doi.org/10.1107/S1600536808019120 |
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author | Gowda, B. Thimme Tokarčík, Miroslav Kožíšek, Jozef Sowmya, B. P. Fuess, Hartmut |
author_facet | Gowda, B. Thimme Tokarčík, Miroslav Kožíšek, Jozef Sowmya, B. P. Fuess, Hartmut |
author_sort | Gowda, B. Thimme |
collection | PubMed |
description | The conformations of the N—H and C=O bonds in the structure of the title compound (N26DMP4CBA), C(15)H(14)ClNO, are anti to each other, similar to that observed in N-phenylbenzamide, N-(3,4-dimethylphenyl)benzamide, N-(2,6-dichlorophenyl)benzamide and other benzanilides. There are three molecules in the asymmetric unit of N26DMP4CBA. The central amide group is tilted with respect to the benzoyl ring by 45.2 (1)° in molecule 1, 21.2 (2)° in molecule 2 and 14.9 (2)° in molecule 3. The dihedral angles between the benzoyl and aniline rings are 39.9 (1), 51.0 (1) and 86.3 (3)° in molecules 1, 2 and 3, respectively. Intermolecular N—H⋯O hydrogen bonds link the molecules into infinite chains running along the [101] direction. One xylyl group is disordered over two positions; the site occupancy factors are ca 0.6 and 0.4. |
format | Text |
id | pubmed-2961789 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29617892010-12-30 4-Chloro-N-(2,6-dimethylphenyl)benzamide Gowda, B. Thimme Tokarčík, Miroslav Kožíšek, Jozef Sowmya, B. P. Fuess, Hartmut Acta Crystallogr Sect E Struct Rep Online Organic Papers The conformations of the N—H and C=O bonds in the structure of the title compound (N26DMP4CBA), C(15)H(14)ClNO, are anti to each other, similar to that observed in N-phenylbenzamide, N-(3,4-dimethylphenyl)benzamide, N-(2,6-dichlorophenyl)benzamide and other benzanilides. There are three molecules in the asymmetric unit of N26DMP4CBA. The central amide group is tilted with respect to the benzoyl ring by 45.2 (1)° in molecule 1, 21.2 (2)° in molecule 2 and 14.9 (2)° in molecule 3. The dihedral angles between the benzoyl and aniline rings are 39.9 (1), 51.0 (1) and 86.3 (3)° in molecules 1, 2 and 3, respectively. Intermolecular N—H⋯O hydrogen bonds link the molecules into infinite chains running along the [101] direction. One xylyl group is disordered over two positions; the site occupancy factors are ca 0.6 and 0.4. International Union of Crystallography 2008-06-28 /pmc/articles/PMC2961789/ /pubmed/21202983 http://dx.doi.org/10.1107/S1600536808019120 Text en © Gowda 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 Gowda, B. Thimme Tokarčík, Miroslav Kožíšek, Jozef Sowmya, B. P. Fuess, Hartmut 4-Chloro-N-(2,6-dimethylphenyl)benzamide |
title | 4-Chloro-N-(2,6-dimethylphenyl)benzamide |
title_full | 4-Chloro-N-(2,6-dimethylphenyl)benzamide |
title_fullStr | 4-Chloro-N-(2,6-dimethylphenyl)benzamide |
title_full_unstemmed | 4-Chloro-N-(2,6-dimethylphenyl)benzamide |
title_short | 4-Chloro-N-(2,6-dimethylphenyl)benzamide |
title_sort | 4-chloro-n-(2,6-dimethylphenyl)benzamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961789/ https://www.ncbi.nlm.nih.gov/pubmed/21202983 http://dx.doi.org/10.1107/S1600536808019120 |
work_keys_str_mv | AT gowdabthimme 4chloron26dimethylphenylbenzamide AT tokarcikmiroslav 4chloron26dimethylphenylbenzamide AT kozisekjozef 4chloron26dimethylphenylbenzamide AT sowmyabp 4chloron26dimethylphenylbenzamide AT fuesshartmut 4chloron26dimethylphenylbenzamide |