Ethyl 2-(4-bromophenyl)-1-[3-(1H-imidazol-1-yl)prop­yl]-1H-benzimidazole-5-carboxyl­ate monohydrate

In the title compound, C(22)H(21)BrN(4)O(2)·H(2)O, the two pyrazole rings are essentially planar [maximum deviations 0.002 (1) and 0.002 (1) Å], and form a dihedral angle of 73.46 (9)°. The dihedral angle between the benzene rings is 29.33 (7)°. In the crystal, mol­ecules are connected via C—H⋯O and...

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Autores principales: Yoon, Yeong Keng, Ali, Mohamed Ashraf, Choon, Tan Soo, Hemamalini, Madhukar, Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247451/
https://www.ncbi.nlm.nih.gov/pubmed/22220069
http://dx.doi.org/10.1107/S160053681104342X
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author Yoon, Yeong Keng
Ali, Mohamed Ashraf
Choon, Tan Soo
Hemamalini, Madhukar
Fun, Hoong-Kun
author_facet Yoon, Yeong Keng
Ali, Mohamed Ashraf
Choon, Tan Soo
Hemamalini, Madhukar
Fun, Hoong-Kun
author_sort Yoon, Yeong Keng
collection PubMed
description In the title compound, C(22)H(21)BrN(4)O(2)·H(2)O, the two pyrazole rings are essentially planar [maximum deviations 0.002 (1) and 0.002 (1) Å], and form a dihedral angle of 73.46 (9)°. The dihedral angle between the benzene rings is 29.33 (7)°. In the crystal, mol­ecules are connected via C—H⋯O and O—H⋯N hydrogen bonds, forming layers in the ab plane.
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spelling pubmed-32474512012-01-04 Ethyl 2-(4-bromophenyl)-1-[3-(1H-imidazol-1-yl)prop­yl]-1H-benzimidazole-5-carboxyl­ate monohydrate Yoon, Yeong Keng Ali, Mohamed Ashraf Choon, Tan Soo Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(22)H(21)BrN(4)O(2)·H(2)O, the two pyrazole rings are essentially planar [maximum deviations 0.002 (1) and 0.002 (1) Å], and form a dihedral angle of 73.46 (9)°. The dihedral angle between the benzene rings is 29.33 (7)°. In the crystal, mol­ecules are connected via C—H⋯O and O—H⋯N hydrogen bonds, forming layers in the ab plane. International Union of Crystallography 2011-10-29 /pmc/articles/PMC3247451/ /pubmed/22220069 http://dx.doi.org/10.1107/S160053681104342X Text en © Yoon et al. 2011 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
Yoon, Yeong Keng
Ali, Mohamed Ashraf
Choon, Tan Soo
Hemamalini, Madhukar
Fun, Hoong-Kun
Ethyl 2-(4-bromophenyl)-1-[3-(1H-imidazol-1-yl)prop­yl]-1H-benzimidazole-5-carboxyl­ate monohydrate
title Ethyl 2-(4-bromophenyl)-1-[3-(1H-imidazol-1-yl)prop­yl]-1H-benzimidazole-5-carboxyl­ate monohydrate
title_full Ethyl 2-(4-bromophenyl)-1-[3-(1H-imidazol-1-yl)prop­yl]-1H-benzimidazole-5-carboxyl­ate monohydrate
title_fullStr Ethyl 2-(4-bromophenyl)-1-[3-(1H-imidazol-1-yl)prop­yl]-1H-benzimidazole-5-carboxyl­ate monohydrate
title_full_unstemmed Ethyl 2-(4-bromophenyl)-1-[3-(1H-imidazol-1-yl)prop­yl]-1H-benzimidazole-5-carboxyl­ate monohydrate
title_short Ethyl 2-(4-bromophenyl)-1-[3-(1H-imidazol-1-yl)prop­yl]-1H-benzimidazole-5-carboxyl­ate monohydrate
title_sort ethyl 2-(4-bromophenyl)-1-[3-(1h-imidazol-1-yl)prop­yl]-1h-benzimidazole-5-carboxyl­ate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247451/
https://www.ncbi.nlm.nih.gov/pubmed/22220069
http://dx.doi.org/10.1107/S160053681104342X
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