Ethyl 1-sec-butyl-2-phenyl-1H-benzimidazole-5-carboxyl­ate

In the title mol­ecule, C(20)H(22)N(2)O(2), the benzimidazole ring system is essentially planar, with a maximum deviation of 0.024 (1) Å. The dihedral angle between the phenyl and benzimidazole ring system is 43.71 (5)°. The atoms of the butyl group are disordered over two sets of sites with occupan...

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Autores principales: Arumugam, Natarajan, Abdul Rahim, Aisyah Saad, Abd Hamid, Shafida, Hemamalini, Madhukar, 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/PMC2984087/
https://www.ncbi.nlm.nih.gov/pubmed/21580635
http://dx.doi.org/10.1107/S160053681000872X
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author Arumugam, Natarajan
Abdul Rahim, Aisyah Saad
Abd Hamid, Shafida
Hemamalini, Madhukar
Fun, Hoong-Kun
author_facet Arumugam, Natarajan
Abdul Rahim, Aisyah Saad
Abd Hamid, Shafida
Hemamalini, Madhukar
Fun, Hoong-Kun
author_sort Arumugam, Natarajan
collection PubMed
description In the title mol­ecule, C(20)H(22)N(2)O(2), the benzimidazole ring system is essentially planar, with a maximum deviation of 0.024 (1) Å. The dihedral angle between the phenyl and benzimidazole ring system is 43.71 (5)°. The atoms of the butyl group are disordered over two sets of sites with occupancies of 0.900 (4) and 0.100 (4). In the crystal structure, mol­ecules are connected by weak inter­molecular C—H⋯O hydrogen bonds, forming chains along the b axis. The crystal structure is further stabilized by C—H⋯π inter­actions.
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spelling pubmed-29840872010-12-30 Ethyl 1-sec-butyl-2-phenyl-1H-benzimidazole-5-carboxyl­ate Arumugam, Natarajan Abdul Rahim, Aisyah Saad Abd Hamid, Shafida Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(20)H(22)N(2)O(2), the benzimidazole ring system is essentially planar, with a maximum deviation of 0.024 (1) Å. The dihedral angle between the phenyl and benzimidazole ring system is 43.71 (5)°. The atoms of the butyl group are disordered over two sets of sites with occupancies of 0.900 (4) and 0.100 (4). In the crystal structure, mol­ecules are connected by weak inter­molecular C—H⋯O hydrogen bonds, forming chains along the b axis. The crystal structure is further stabilized by C—H⋯π inter­actions. International Union of Crystallography 2010-03-13 /pmc/articles/PMC2984087/ /pubmed/21580635 http://dx.doi.org/10.1107/S160053681000872X 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
Abd Hamid, Shafida
Hemamalini, Madhukar
Fun, Hoong-Kun
Ethyl 1-sec-butyl-2-phenyl-1H-benzimidazole-5-carboxyl­ate
title Ethyl 1-sec-butyl-2-phenyl-1H-benzimidazole-5-carboxyl­ate
title_full Ethyl 1-sec-butyl-2-phenyl-1H-benzimidazole-5-carboxyl­ate
title_fullStr Ethyl 1-sec-butyl-2-phenyl-1H-benzimidazole-5-carboxyl­ate
title_full_unstemmed Ethyl 1-sec-butyl-2-phenyl-1H-benzimidazole-5-carboxyl­ate
title_short Ethyl 1-sec-butyl-2-phenyl-1H-benzimidazole-5-carboxyl­ate
title_sort ethyl 1-sec-butyl-2-phenyl-1h-benzimidazole-5-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984087/
https://www.ncbi.nlm.nih.gov/pubmed/21580635
http://dx.doi.org/10.1107/S160053681000872X
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