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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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. |
format | Online Article Text |
id | pubmed-3772489 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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