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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3379470 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |