Ethyl 1-sec-butyl-2-p-tolyl-1H-benzimidazole-5-carboxyl­ate

In the title compound, C(21)H(24)N(2)O(2), the butyl group is disordered over two orientations with refined site occupancies of 0.883 (3) and 0.117 (3). The dihedral angle between the mean plane of benzimidazole ring system and the benzene ring is 39.32 (4)° and the dihedral angle between the mean p...

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Autores principales: Arumugam, Natarajan, Abdul Rahim, Aisyah Saad, Osman, Hasnah, Yeap, Chin Sing, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979236/
https://www.ncbi.nlm.nih.gov/pubmed/21579242
http://dx.doi.org/10.1107/S1600536810015242
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author Arumugam, Natarajan
Abdul Rahim, Aisyah Saad
Osman, Hasnah
Yeap, Chin Sing
Fun, Hoong-Kun
author_facet Arumugam, Natarajan
Abdul Rahim, Aisyah Saad
Osman, Hasnah
Yeap, Chin Sing
Fun, Hoong-Kun
author_sort Arumugam, Natarajan
collection PubMed
description In the title compound, C(21)H(24)N(2)O(2), the butyl group is disordered over two orientations with refined site occupancies of 0.883 (3) and 0.117 (3). The dihedral angle between the mean plane of benzimidazole ring system and the benzene ring is 39.32 (4)° and the dihedral angle between the mean plane of carboxyl­ate group and the benzimidazole ring system is 6.87 (5)°. A weak intra­molecular C—H⋯π inter­action may have some influence on the conformation of the mol­ecule. In the crystal structure, mol­ecules are linked into infinite chains along the b axis by weak inter­molecular C—H⋯O hydrogen bonds.
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spelling pubmed-29792362010-12-30 Ethyl 1-sec-butyl-2-p-tolyl-1H-benzimidazole-5-carboxyl­ate Arumugam, Natarajan Abdul Rahim, Aisyah Saad Osman, Hasnah Yeap, Chin Sing Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(24)N(2)O(2), the butyl group is disordered over two orientations with refined site occupancies of 0.883 (3) and 0.117 (3). The dihedral angle between the mean plane of benzimidazole ring system and the benzene ring is 39.32 (4)° and the dihedral angle between the mean plane of carboxyl­ate group and the benzimidazole ring system is 6.87 (5)°. A weak intra­molecular C—H⋯π inter­action may have some influence on the conformation of the mol­ecule. In the crystal structure, mol­ecules are linked into infinite chains along the b axis by weak inter­molecular C—H⋯O hydrogen bonds. International Union of Crystallography 2010-04-30 /pmc/articles/PMC2979236/ /pubmed/21579242 http://dx.doi.org/10.1107/S1600536810015242 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
Yeap, Chin Sing
Fun, Hoong-Kun
Ethyl 1-sec-butyl-2-p-tolyl-1H-benzimidazole-5-carboxyl­ate
title Ethyl 1-sec-butyl-2-p-tolyl-1H-benzimidazole-5-carboxyl­ate
title_full Ethyl 1-sec-butyl-2-p-tolyl-1H-benzimidazole-5-carboxyl­ate
title_fullStr Ethyl 1-sec-butyl-2-p-tolyl-1H-benzimidazole-5-carboxyl­ate
title_full_unstemmed Ethyl 1-sec-butyl-2-p-tolyl-1H-benzimidazole-5-carboxyl­ate
title_short Ethyl 1-sec-butyl-2-p-tolyl-1H-benzimidazole-5-carboxyl­ate
title_sort ethyl 1-sec-butyl-2-p-tolyl-1h-benzimidazole-5-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979236/
https://www.ncbi.nlm.nih.gov/pubmed/21579242
http://dx.doi.org/10.1107/S1600536810015242
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