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4,4′-Dimethyl-2,2′-{[2,3,3a,4,5,6,7,7a-octa­hydro-1H-benzimidazole-1,3-di­yl]bis­(methyl­ene)}diphenol

The asymmetric unit of the title compound, C(23)H(30)N(2)O(2), contains one half-mol­ecule, with a twofold axis splitting the mol­ecule in two identical halves. The structure of the racemic mixture has been reported previously [Rivera et al. (2009 ▶) J. Chem. Crystallogr. 39, 827–830] but the enanti...

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Autores principales: Rivera, Augusto, Osorio, Héctor Jairo, Maldonado, Mauricio, Ríos-Motta, Jaime, Bolte, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772489/
https://www.ncbi.nlm.nih.gov/pubmed/24046632
http://dx.doi.org/10.1107/S1600536813015237
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author Rivera, Augusto
Osorio, Héctor Jairo
Maldonado, Mauricio
Ríos-Motta, Jaime
Bolte, Michael
author_facet Rivera, Augusto
Osorio, Héctor Jairo
Maldonado, Mauricio
Ríos-Motta, Jaime
Bolte, Michael
author_sort Rivera, Augusto
collection PubMed
description The asymmetric unit of the title compound, C(23)H(30)N(2)O(2), contains one half-mol­ecule, with a twofold axis splitting the mol­ecule in two identical halves. The structure of the racemic mixture has been reported previously [Rivera et al. (2009 ▶) J. Chem. Crystallogr. 39, 827–830] but the enanti­omer reported here crystallized in the ortho­rhom­bic space group P2(1)2(1)2 (Z = 2), whereas the racemate occurs in the triclinic space group P-1 (Z = 2). The observed mol­ecular conformation is stabilized by two intra­molecular O—H⋯N hydrogen bonds, which generate rings with graph-set motif S(6). In the crystal, mol­ecules are linked via non-classical C—H⋯O inter­actions, which stack the mol­ecules along the b axis.
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spelling pubmed-37724892013-09-17 4,4′-Dimethyl-2,2′-{[2,3,3a,4,5,6,7,7a-octa­hydro-1H-benzimidazole-1,3-di­yl]bis­(methyl­ene)}diphenol Rivera, Augusto Osorio, Héctor Jairo Maldonado, Mauricio Ríos-Motta, Jaime Bolte, Michael Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(23)H(30)N(2)O(2), contains one half-mol­ecule, with a twofold axis splitting the mol­ecule in two identical halves. The structure of the racemic mixture has been reported previously [Rivera et al. (2009 ▶) J. Chem. Crystallogr. 39, 827–830] but the enanti­omer reported here crystallized in the ortho­rhom­bic space group P2(1)2(1)2 (Z = 2), whereas the racemate occurs in the triclinic space group P-1 (Z = 2). The observed mol­ecular conformation is stabilized by two intra­molecular O—H⋯N hydrogen bonds, which generate rings with graph-set motif S(6). In the crystal, mol­ecules are linked via non-classical C—H⋯O inter­actions, which stack the mol­ecules along the b axis. International Union of Crystallography 2013-06-08 /pmc/articles/PMC3772489/ /pubmed/24046632 http://dx.doi.org/10.1107/S1600536813015237 Text en © Rivera et al. 2013 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
Rivera, Augusto
Osorio, Héctor Jairo
Maldonado, Mauricio
Ríos-Motta, Jaime
Bolte, Michael
4,4′-Dimethyl-2,2′-{[2,3,3a,4,5,6,7,7a-octa­hydro-1H-benzimidazole-1,3-di­yl]bis­(methyl­ene)}diphenol
title 4,4′-Dimethyl-2,2′-{[2,3,3a,4,5,6,7,7a-octa­hydro-1H-benzimidazole-1,3-di­yl]bis­(methyl­ene)}diphenol
title_full 4,4′-Dimethyl-2,2′-{[2,3,3a,4,5,6,7,7a-octa­hydro-1H-benzimidazole-1,3-di­yl]bis­(methyl­ene)}diphenol
title_fullStr 4,4′-Dimethyl-2,2′-{[2,3,3a,4,5,6,7,7a-octa­hydro-1H-benzimidazole-1,3-di­yl]bis­(methyl­ene)}diphenol
title_full_unstemmed 4,4′-Dimethyl-2,2′-{[2,3,3a,4,5,6,7,7a-octa­hydro-1H-benzimidazole-1,3-di­yl]bis­(methyl­ene)}diphenol
title_short 4,4′-Dimethyl-2,2′-{[2,3,3a,4,5,6,7,7a-octa­hydro-1H-benzimidazole-1,3-di­yl]bis­(methyl­ene)}diphenol
title_sort 4,4′-dimethyl-2,2′-{[2,3,3a,4,5,6,7,7a-octa­hydro-1h-benzimidazole-1,3-di­yl]bis­(methyl­ene)}diphenol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772489/
https://www.ncbi.nlm.nih.gov/pubmed/24046632
http://dx.doi.org/10.1107/S1600536813015237
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