Cargando…

2-Eth­oxy-6-[1-(3-eth­oxy-2-hy­droxy­benz­yl)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate

The title compound, C(24)H(24)N(2)O(4)·CH(3)CN, a disubstituted benzimidazole, crystallized as an acetonitrile monosolvate. The benzene ring of the 2-eth­oxy-6-methyl­phenol substiuent is approximately perpendicular to the nearly planar benzimidazole ring system [maximum deviation = 0.016 (1) Å], ma...

Descripción completa

Detalles Bibliográficos
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/PMC3344524/
https://www.ncbi.nlm.nih.gov/pubmed/22590286
http://dx.doi.org/10.1107/S1600536812015449
_version_ 1782232011201576960
author Ha, Kwang
author_facet Ha, Kwang
author_sort Ha, Kwang
collection PubMed
description The title compound, C(24)H(24)N(2)O(4)·CH(3)CN, a disubstituted benzimidazole, crystallized as an acetonitrile monosolvate. The benzene ring of the 2-eth­oxy-6-methyl­phenol substiuent is approximately perpendicular to the nearly planar benzimidazole ring system [maximum deviation = 0.016 (1) Å], making a dihedral angle of 84.27 (8)°. The benzene ring of the 2-eth­oxy­phenol substituent is inclined to the benzimidazole mean plane by 29.68 (8)°. The dihedral angle between the benzene rings is 80.36 (9)°. In the mol­ecule, there are strong O—H⋯N and O—H⋯O hydrogen bonds. In the crystal, mol­ecules are connected by bifurcated O—H⋯(O,O) hydrogen bonds, forming chains propagating along [010].
format Online
Article
Text
id pubmed-3344524
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33445242012-05-15 2-Eth­oxy-6-[1-(3-eth­oxy-2-hy­droxy­benz­yl)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate Ha, Kwang Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(24)H(24)N(2)O(4)·CH(3)CN, a disubstituted benzimidazole, crystallized as an acetonitrile monosolvate. The benzene ring of the 2-eth­oxy-6-methyl­phenol substiuent is approximately perpendicular to the nearly planar benzimidazole ring system [maximum deviation = 0.016 (1) Å], making a dihedral angle of 84.27 (8)°. The benzene ring of the 2-eth­oxy­phenol substituent is inclined to the benzimidazole mean plane by 29.68 (8)°. The dihedral angle between the benzene rings is 80.36 (9)°. In the mol­ecule, there are strong O—H⋯N and O—H⋯O hydrogen bonds. In the crystal, mol­ecules are connected by bifurcated O—H⋯(O,O) hydrogen bonds, forming chains propagating along [010]. International Union of Crystallography 2012-04-18 /pmc/articles/PMC3344524/ /pubmed/22590286 http://dx.doi.org/10.1107/S1600536812015449 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)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate
title 2-Eth­oxy-6-[1-(3-eth­oxy-2-hy­droxy­benz­yl)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate
title_full 2-Eth­oxy-6-[1-(3-eth­oxy-2-hy­droxy­benz­yl)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate
title_fullStr 2-Eth­oxy-6-[1-(3-eth­oxy-2-hy­droxy­benz­yl)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate
title_full_unstemmed 2-Eth­oxy-6-[1-(3-eth­oxy-2-hy­droxy­benz­yl)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate
title_short 2-Eth­oxy-6-[1-(3-eth­oxy-2-hy­droxy­benz­yl)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate
title_sort 2-eth­oxy-6-[1-(3-eth­oxy-2-hy­droxy­benz­yl)-2,3-dihydro-1h-benzimidazol-2-yl]phenol acetonitrile monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344524/
https://www.ncbi.nlm.nih.gov/pubmed/22590286
http://dx.doi.org/10.1107/S1600536812015449
work_keys_str_mv AT hakwang 2ethoxy613ethoxy2hydroxybenzyl23dihydro1hbenzimidazol2ylphenolacetonitrilemonosolvate