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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...

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Autores principales: Al-Douh, Mohammed H., Osman, Hasnah, Hamid, Shafida A., Kia, Reza, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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.
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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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