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2-Eth­oxy-6-{[1-(3-eth­oxy-2-hy­droxy­benz­yl)-1H-benzimidazol-2-yl]meth­yl}phenol nitro­methane monosolvate

In the title solvate, C(24)H(24)N(2)O(4)·CH(3)NO(2), the benzene ring of the 2-eth­oxy-6-methyl­phenol substituent is approximately perpendicular to the nearly planar benzimidazole ring [maximum deviation = 0.021 (2) Å], making a dihedral angle of 84.32 (7)°. The benzene ring of the 2-eth­oxy­phenol...

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Autor principal: Ha, Kwang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379470/
https://www.ncbi.nlm.nih.gov/pubmed/22719668
http://dx.doi.org/10.1107/S1600536812023665
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author Ha, Kwang
author_facet Ha, Kwang
author_sort Ha, Kwang
collection PubMed
description In the title solvate, C(24)H(24)N(2)O(4)·CH(3)NO(2), the benzene ring of the 2-eth­oxy-6-methyl­phenol substituent is approximately perpendicular to the nearly planar benzimidazole ring [maximum deviation = 0.021 (2) Å], making a dihedral angle of 84.32 (7)°. The benzene ring of the 2-eth­oxy­phenol group is somewhat inclined to the benzimidazole ring plane by 28.03 (5)°. The dihedral angle between the benzene rings is 82.20 (9)°. The compound reveals strong intra­molecular O—H⋯N and O—H⋯O hydrogen bonds, forming six- and five-membered rings, respectively. In the crystal, mol­ecules are connected by bifurcated O—H⋯(O,O) hydrogen bonds, forming chains along the b axis.
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spelling pubmed-33794702012-06-20 2-Eth­oxy-6-{[1-(3-eth­oxy-2-hy­droxy­benz­yl)-1H-benzimidazol-2-yl]meth­yl}phenol nitro­methane monosolvate Ha, Kwang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title solvate, C(24)H(24)N(2)O(4)·CH(3)NO(2), the benzene ring of the 2-eth­oxy-6-methyl­phenol substituent is approximately perpendicular to the nearly planar benzimidazole ring [maximum deviation = 0.021 (2) Å], making a dihedral angle of 84.32 (7)°. The benzene ring of the 2-eth­oxy­phenol group is somewhat inclined to the benzimidazole ring plane by 28.03 (5)°. The dihedral angle between the benzene rings is 82.20 (9)°. The compound reveals strong intra­molecular O—H⋯N and O—H⋯O hydrogen bonds, forming six- and five-membered rings, respectively. In the crystal, mol­ecules are connected by bifurcated O—H⋯(O,O) hydrogen bonds, forming chains along the b axis. International Union of Crystallography 2012-05-31 /pmc/articles/PMC3379470/ /pubmed/22719668 http://dx.doi.org/10.1107/S1600536812023665 Text en © Kwang Ha 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
Ha, Kwang
2-Eth­oxy-6-{[1-(3-eth­oxy-2-hy­droxy­benz­yl)-1H-benzimidazol-2-yl]meth­yl}phenol nitro­methane monosolvate
title 2-Eth­oxy-6-{[1-(3-eth­oxy-2-hy­droxy­benz­yl)-1H-benzimidazol-2-yl]meth­yl}phenol nitro­methane monosolvate
title_full 2-Eth­oxy-6-{[1-(3-eth­oxy-2-hy­droxy­benz­yl)-1H-benzimidazol-2-yl]meth­yl}phenol nitro­methane monosolvate
title_fullStr 2-Eth­oxy-6-{[1-(3-eth­oxy-2-hy­droxy­benz­yl)-1H-benzimidazol-2-yl]meth­yl}phenol nitro­methane monosolvate
title_full_unstemmed 2-Eth­oxy-6-{[1-(3-eth­oxy-2-hy­droxy­benz­yl)-1H-benzimidazol-2-yl]meth­yl}phenol nitro­methane monosolvate
title_short 2-Eth­oxy-6-{[1-(3-eth­oxy-2-hy­droxy­benz­yl)-1H-benzimidazol-2-yl]meth­yl}phenol nitro­methane monosolvate
title_sort 2-eth­oxy-6-{[1-(3-eth­oxy-2-hy­droxy­benz­yl)-1h-benzimidazol-2-yl]meth­yl}phenol nitro­methane monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379470/
https://www.ncbi.nlm.nih.gov/pubmed/22719668
http://dx.doi.org/10.1107/S1600536812023665
work_keys_str_mv AT hakwang 2ethoxy613ethoxy2hydroxybenzyl1hbenzimidazol2ylmethylphenolnitromethanemonosolvate