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2-[1-(2-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-6-methoxyphenol monohydrate
The asymmetric unit of the title compound, C(22)H(20)N(2)O(4)·H(2)O, comprises a substituted benzimidazole molecule and a water molecule of crystallization. The dihedral angles between the benzimidazole ring system and the two outer benzene rings are 16.54 (4) and 86.13 (4)°. The dihedral angle bet...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968983/ https://www.ncbi.nlm.nih.gov/pubmed/21582616 http://dx.doi.org/10.1107/S1600536809010769 |
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author | Al-Douh, Mohammed H. Osman, Hasnah Hamid, Shafida A. Kia, Reza Fun, Hoong-Kun |
author_facet | Al-Douh, Mohammed H. Osman, Hasnah Hamid, Shafida A. Kia, Reza Fun, Hoong-Kun |
author_sort | Al-Douh, Mohammed H. |
collection | PubMed |
description | The asymmetric unit of the title compound, C(22)H(20)N(2)O(4)·H(2)O, comprises a substituted benzimidazole molecule and a water molecule of crystallization. The dihedral angles between the benzimidazole ring system and the two outer benzene rings are 16.54 (4) and 86.13 (4)°. The dihedral angle between the two hydroxy-substituted benzene rings is 82.20 (5)°. In the crystal structure, intermolecular O—H⋯O hydrogen bonds, involving the hydroxy groups and water molecules, form R (4) (4)(8) ring motifs, and link symmetry-related molecules into extended chains along the c axis. The crystal structure is further stabilized by weak intermolecular C—H⋯O hydrogen bonds, weak C—H⋯π and π–π stacking [centroid–centroid = 3.6495 (6)–3.7130 (6) Å] interactions. Intramolecular O—H⋯O and O—H⋯N interactions are also present. |
format | Text |
id | pubmed-2968983 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29689832010-12-30 2-[1-(2-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-6-methoxyphenol monohydrate Al-Douh, Mohammed H. Osman, Hasnah Hamid, Shafida A. Kia, Reza Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(22)H(20)N(2)O(4)·H(2)O, comprises a substituted benzimidazole molecule and a water molecule of crystallization. The dihedral angles between the benzimidazole ring system and the two outer benzene rings are 16.54 (4) and 86.13 (4)°. The dihedral angle between the two hydroxy-substituted benzene rings is 82.20 (5)°. In the crystal structure, intermolecular O—H⋯O hydrogen bonds, involving the hydroxy groups and water molecules, form R (4) (4)(8) ring motifs, and link symmetry-related molecules into extended chains along the c axis. The crystal structure is further stabilized by weak intermolecular C—H⋯O hydrogen bonds, weak C—H⋯π and π–π stacking [centroid–centroid = 3.6495 (6)–3.7130 (6) Å] interactions. Intramolecular O—H⋯O and O—H⋯N interactions are also present. International Union of Crystallography 2009-03-28 /pmc/articles/PMC2968983/ /pubmed/21582616 http://dx.doi.org/10.1107/S1600536809010769 Text en © Al-Douh et al. 2009 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 Al-Douh, Mohammed H. Osman, Hasnah Hamid, Shafida A. Kia, Reza Fun, Hoong-Kun 2-[1-(2-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-6-methoxyphenol monohydrate |
title | 2-[1-(2-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-6-methoxyphenol monohydrate |
title_full | 2-[1-(2-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-6-methoxyphenol monohydrate |
title_fullStr | 2-[1-(2-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-6-methoxyphenol monohydrate |
title_full_unstemmed | 2-[1-(2-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-6-methoxyphenol monohydrate |
title_short | 2-[1-(2-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-6-methoxyphenol monohydrate |
title_sort | 2-[1-(2-hydroxy-3-methoxybenzyl)-1h-benzimidazol-2-yl]-6-methoxyphenol monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968983/ https://www.ncbi.nlm.nih.gov/pubmed/21582616 http://dx.doi.org/10.1107/S1600536809010769 |
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