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4-(1H-Benzimidazol-2-ylmeth­oxy)-3-meth­oxy­benzaldehyde tetra­hydrate

In the title compound, C(16)H(14)N(2)O(3)·4H(2)O, the dihedral angle between the mean planes of the benzimidazole ring system and benzene ring is 2.9 (1)°. The aldehyde group is disordered over two sets of sites with refined occupancies of 0.559 (4) and 0.441 (4). In the crystal, extensive inter­mol...

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Autores principales: Jasinski, Jerry P., Golen, James A., Samshuddin, S., Narayana, B., Yathirajan, H. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213473/
https://www.ncbi.nlm.nih.gov/pubmed/22091052
http://dx.doi.org/10.1107/S1600536811027164
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author Jasinski, Jerry P.
Golen, James A.
Samshuddin, S.
Narayana, B.
Yathirajan, H. S.
author_facet Jasinski, Jerry P.
Golen, James A.
Samshuddin, S.
Narayana, B.
Yathirajan, H. S.
author_sort Jasinski, Jerry P.
collection PubMed
description In the title compound, C(16)H(14)N(2)O(3)·4H(2)O, the dihedral angle between the mean planes of the benzimidazole ring system and benzene ring is 2.9 (1)°. The aldehyde group is disordered over two sets of sites with refined occupancies of 0.559 (4) and 0.441 (4). In the crystal, extensive inter­molecular O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds in concert with weak π–π stacking inter­actions [centroid–centroid distances = 3.6104 (9), 3.6288 (9) and 3.9167 (10) Å] create a three-dimensional network.
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spelling pubmed-32134732011-11-16 4-(1H-Benzimidazol-2-ylmeth­oxy)-3-meth­oxy­benzaldehyde tetra­hydrate Jasinski, Jerry P. Golen, James A. Samshuddin, S. Narayana, B. Yathirajan, H. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(14)N(2)O(3)·4H(2)O, the dihedral angle between the mean planes of the benzimidazole ring system and benzene ring is 2.9 (1)°. The aldehyde group is disordered over two sets of sites with refined occupancies of 0.559 (4) and 0.441 (4). In the crystal, extensive inter­molecular O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds in concert with weak π–π stacking inter­actions [centroid–centroid distances = 3.6104 (9), 3.6288 (9) and 3.9167 (10) Å] create a three-dimensional network. International Union of Crystallography 2011-07-13 /pmc/articles/PMC3213473/ /pubmed/22091052 http://dx.doi.org/10.1107/S1600536811027164 Text en © Jasinski 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
Jasinski, Jerry P.
Golen, James A.
Samshuddin, S.
Narayana, B.
Yathirajan, H. S.
4-(1H-Benzimidazol-2-ylmeth­oxy)-3-meth­oxy­benzaldehyde tetra­hydrate
title 4-(1H-Benzimidazol-2-ylmeth­oxy)-3-meth­oxy­benzaldehyde tetra­hydrate
title_full 4-(1H-Benzimidazol-2-ylmeth­oxy)-3-meth­oxy­benzaldehyde tetra­hydrate
title_fullStr 4-(1H-Benzimidazol-2-ylmeth­oxy)-3-meth­oxy­benzaldehyde tetra­hydrate
title_full_unstemmed 4-(1H-Benzimidazol-2-ylmeth­oxy)-3-meth­oxy­benzaldehyde tetra­hydrate
title_short 4-(1H-Benzimidazol-2-ylmeth­oxy)-3-meth­oxy­benzaldehyde tetra­hydrate
title_sort 4-(1h-benzimidazol-2-ylmeth­oxy)-3-meth­oxy­benzaldehyde tetra­hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213473/
https://www.ncbi.nlm.nih.gov/pubmed/22091052
http://dx.doi.org/10.1107/S1600536811027164
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