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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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. |
format | Online Article Text |
id | pubmed-3213473 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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