Ethyl 1-(2-hy­droxy­eth­yl)-2-(4-meth­oxy­phen­yl)-1H-benzimidazole-5-carboxyl­ate monohydrate

In the title mol­ecule, C(19)H(20)N(2)O(4)·H(2)O, the benzimidazole ring system is essentially planar [maximum deviation = 0.013 (11) Å] and is inclined to the 4-meth­oxy­phenyl ring by 30.98 (5)°. In the crystal, O—H⋯O and O—H⋯N hydrogen bonds involving the water mol­ecule link neighbouring mol­ecu...

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Autores principales: Arumugam, Natarajan, Ngah, Nurziana, Osman, Hasnah, Abdul Rahim, Aisyah Saad
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275179/
https://www.ncbi.nlm.nih.gov/pubmed/22347035
http://dx.doi.org/10.1107/S1600536812001262
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author Arumugam, Natarajan
Ngah, Nurziana
Osman, Hasnah
Abdul Rahim, Aisyah Saad
author_facet Arumugam, Natarajan
Ngah, Nurziana
Osman, Hasnah
Abdul Rahim, Aisyah Saad
author_sort Arumugam, Natarajan
collection PubMed
description In the title mol­ecule, C(19)H(20)N(2)O(4)·H(2)O, the benzimidazole ring system is essentially planar [maximum deviation = 0.013 (11) Å] and is inclined to the 4-meth­oxy­phenyl ring by 30.98 (5)°. In the crystal, O—H⋯O and O—H⋯N hydrogen bonds involving the water mol­ecule link neighbouring mol­ecules, forming a two-dimensional network lying parallel to the bc plane. There are also C—H⋯π and π–π inter­actions present. The latter involve inversion-related benzimidazole rings with centroid–centroid distances of 3.5552 (8) and 3.7466 (8) Å.
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spelling pubmed-32751792012-02-15 Ethyl 1-(2-hy­droxy­eth­yl)-2-(4-meth­oxy­phen­yl)-1H-benzimidazole-5-carboxyl­ate monohydrate Arumugam, Natarajan Ngah, Nurziana Osman, Hasnah Abdul Rahim, Aisyah Saad Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(19)H(20)N(2)O(4)·H(2)O, the benzimidazole ring system is essentially planar [maximum deviation = 0.013 (11) Å] and is inclined to the 4-meth­oxy­phenyl ring by 30.98 (5)°. In the crystal, O—H⋯O and O—H⋯N hydrogen bonds involving the water mol­ecule link neighbouring mol­ecules, forming a two-dimensional network lying parallel to the bc plane. There are also C—H⋯π and π–π inter­actions present. The latter involve inversion-related benzimidazole rings with centroid–centroid distances of 3.5552 (8) and 3.7466 (8) Å. International Union of Crystallography 2012-01-18 /pmc/articles/PMC3275179/ /pubmed/22347035 http://dx.doi.org/10.1107/S1600536812001262 Text en © Arumugam et al. 2012 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
Ngah, Nurziana
Osman, Hasnah
Abdul Rahim, Aisyah Saad
Ethyl 1-(2-hy­droxy­eth­yl)-2-(4-meth­oxy­phen­yl)-1H-benzimidazole-5-carboxyl­ate monohydrate
title Ethyl 1-(2-hy­droxy­eth­yl)-2-(4-meth­oxy­phen­yl)-1H-benzimidazole-5-carboxyl­ate monohydrate
title_full Ethyl 1-(2-hy­droxy­eth­yl)-2-(4-meth­oxy­phen­yl)-1H-benzimidazole-5-carboxyl­ate monohydrate
title_fullStr Ethyl 1-(2-hy­droxy­eth­yl)-2-(4-meth­oxy­phen­yl)-1H-benzimidazole-5-carboxyl­ate monohydrate
title_full_unstemmed Ethyl 1-(2-hy­droxy­eth­yl)-2-(4-meth­oxy­phen­yl)-1H-benzimidazole-5-carboxyl­ate monohydrate
title_short Ethyl 1-(2-hy­droxy­eth­yl)-2-(4-meth­oxy­phen­yl)-1H-benzimidazole-5-carboxyl­ate monohydrate
title_sort ethyl 1-(2-hy­droxy­eth­yl)-2-(4-meth­oxy­phen­yl)-1h-benzimidazole-5-carboxyl­ate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275179/
https://www.ncbi.nlm.nih.gov/pubmed/22347035
http://dx.doi.org/10.1107/S1600536812001262
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