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2-Bromo-5-tert-butyl-N-methyl-N-[2-(methylamino)phenyl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide
In the title compound, C(27)H(29)BrN(4)O, benzimidazole ring system and the amide moiety are planar [r.m.s. deviations = 0.016 (2) and 0.017 (1) Å, respectively]. The molecule adopts a conformation in which the amide linkage is almost perpendicular to the central ring [dihedral angle = 85.79 (8)°],...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120529/ https://www.ncbi.nlm.nih.gov/pubmed/25161598 http://dx.doi.org/10.1107/S1600536814014433 |
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author | Prasad, Poonam Rajesh Das, Shikha Singh, Harkesh B. Butcher, Ray J. |
author_facet | Prasad, Poonam Rajesh Das, Shikha Singh, Harkesh B. Butcher, Ray J. |
author_sort | Prasad, Poonam Rajesh |
collection | PubMed |
description | In the title compound, C(27)H(29)BrN(4)O, benzimidazole ring system and the amide moiety are planar [r.m.s. deviations = 0.016 (2) and 0.017 (1) Å, respectively]. The molecule adopts a conformation in which the amide linkage is almost perpendicular to the central ring [dihedral angle = 85.79 (8)°], while the benzimidazole ring system makes a dihedral angle of 70.26 (11)° with the central ring. In the crystal, the molecules form dimers through N—H⋯O hydrogen bonds and C—H⋯O interactions. These dimers are further linked into zigzag ribbons along [201] by weak C—H⋯Br interactions. As a result of the bulky nature of the molecule, as evidenced by the large dihedral angles between rings, there is little evidence for any π–π interactions. |
format | Online Article Text |
id | pubmed-4120529 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41205292014-08-26 2-Bromo-5-tert-butyl-N-methyl-N-[2-(methylamino)phenyl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide Prasad, Poonam Rajesh Das, Shikha Singh, Harkesh B. Butcher, Ray J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(27)H(29)BrN(4)O, benzimidazole ring system and the amide moiety are planar [r.m.s. deviations = 0.016 (2) and 0.017 (1) Å, respectively]. The molecule adopts a conformation in which the amide linkage is almost perpendicular to the central ring [dihedral angle = 85.79 (8)°], while the benzimidazole ring system makes a dihedral angle of 70.26 (11)° with the central ring. In the crystal, the molecules form dimers through N—H⋯O hydrogen bonds and C—H⋯O interactions. These dimers are further linked into zigzag ribbons along [201] by weak C—H⋯Br interactions. As a result of the bulky nature of the molecule, as evidenced by the large dihedral angles between rings, there is little evidence for any π–π interactions. International Union of Crystallography 2014-06-25 /pmc/articles/PMC4120529/ /pubmed/25161598 http://dx.doi.org/10.1107/S1600536814014433 Text en © Prasad et al. 2014 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 Prasad, Poonam Rajesh Das, Shikha Singh, Harkesh B. Butcher, Ray J. 2-Bromo-5-tert-butyl-N-methyl-N-[2-(methylamino)phenyl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide |
title | 2-Bromo-5-tert-butyl-N-methyl-N-[2-(methylamino)phenyl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide |
title_full | 2-Bromo-5-tert-butyl-N-methyl-N-[2-(methylamino)phenyl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide |
title_fullStr | 2-Bromo-5-tert-butyl-N-methyl-N-[2-(methylamino)phenyl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide |
title_full_unstemmed | 2-Bromo-5-tert-butyl-N-methyl-N-[2-(methylamino)phenyl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide |
title_short | 2-Bromo-5-tert-butyl-N-methyl-N-[2-(methylamino)phenyl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide |
title_sort | 2-bromo-5-tert-butyl-n-methyl-n-[2-(methylamino)phenyl]-3-(1-methyl-1h-benzimidazol-2-yl)benzamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120529/ https://www.ncbi.nlm.nih.gov/pubmed/25161598 http://dx.doi.org/10.1107/S1600536814014433 |
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