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Crystal structure of 1-{1-[2-(phenyl­selan­yl)phen­yl]-1H-1,2,3-triazol-4-yl}cyclo­hexan-1-ol

Two independent mol­ecules, A and B, comprise the asymmetric unit of the title compound, C(20)H(21)N(3)OSe. While the benzene ring directly bound to the central triazole ring is inclined to the same extent in both mol­ecules [dihedral angles = 40.41 (12) (mol­ecule A) and 44.14 (12)° (B)], greater d...

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Autores principales: Camargo, Leandro R. S., Zukerman-Schpector, Julio, Deobald, Anna M., Braga, Antonio L., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350684/
https://www.ncbi.nlm.nih.gov/pubmed/25844248
http://dx.doi.org/10.1107/S2056989015003242
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author Camargo, Leandro R. S.
Zukerman-Schpector, Julio
Deobald, Anna M.
Braga, Antonio L.
Tiekink, Edward R. T.
author_facet Camargo, Leandro R. S.
Zukerman-Schpector, Julio
Deobald, Anna M.
Braga, Antonio L.
Tiekink, Edward R. T.
author_sort Camargo, Leandro R. S.
collection PubMed
description Two independent mol­ecules, A and B, comprise the asymmetric unit of the title compound, C(20)H(21)N(3)OSe. While the benzene ring directly bound to the central triazole ring is inclined to the same extent in both mol­ecules [dihedral angles = 40.41 (12) (mol­ecule A) and 44.14 (12)° (B)], greater differences are apparent in the dihedral angles between the Se-bound rings, i.e. 74.28 (12) (mol­ecule A) and 89.91 (11)° (B). Close intra­molecular Se⋯N inter­actions of 2.9311 (18) (mol­ecule A) and 2.9482 (18) Å (B) are noted. In the crystal, supra­molecular chains along the a axis are formed via O—H⋯N hydrogen bonding. These are connected into layers via C—H⋯O and C—H⋯N inter­actions; these stack along (01-1) without directional inter­molecular inter­actions between them.
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spelling pubmed-43506842015-04-03 Crystal structure of 1-{1-[2-(phenyl­selan­yl)phen­yl]-1H-1,2,3-triazol-4-yl}cyclo­hexan-1-ol Camargo, Leandro R. S. Zukerman-Schpector, Julio Deobald, Anna M. Braga, Antonio L. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Data Reports Two independent mol­ecules, A and B, comprise the asymmetric unit of the title compound, C(20)H(21)N(3)OSe. While the benzene ring directly bound to the central triazole ring is inclined to the same extent in both mol­ecules [dihedral angles = 40.41 (12) (mol­ecule A) and 44.14 (12)° (B)], greater differences are apparent in the dihedral angles between the Se-bound rings, i.e. 74.28 (12) (mol­ecule A) and 89.91 (11)° (B). Close intra­molecular Se⋯N inter­actions of 2.9311 (18) (mol­ecule A) and 2.9482 (18) Å (B) are noted. In the crystal, supra­molecular chains along the a axis are formed via O—H⋯N hydrogen bonding. These are connected into layers via C—H⋯O and C—H⋯N inter­actions; these stack along (01-1) without directional inter­molecular inter­actions between them. International Union of Crystallography 2015-02-25 /pmc/articles/PMC4350684/ /pubmed/25844248 http://dx.doi.org/10.1107/S2056989015003242 Text en © Camargo et al. 2015 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 Data Reports
Camargo, Leandro R. S.
Zukerman-Schpector, Julio
Deobald, Anna M.
Braga, Antonio L.
Tiekink, Edward R. T.
Crystal structure of 1-{1-[2-(phenyl­selan­yl)phen­yl]-1H-1,2,3-triazol-4-yl}cyclo­hexan-1-ol
title Crystal structure of 1-{1-[2-(phenyl­selan­yl)phen­yl]-1H-1,2,3-triazol-4-yl}cyclo­hexan-1-ol
title_full Crystal structure of 1-{1-[2-(phenyl­selan­yl)phen­yl]-1H-1,2,3-triazol-4-yl}cyclo­hexan-1-ol
title_fullStr Crystal structure of 1-{1-[2-(phenyl­selan­yl)phen­yl]-1H-1,2,3-triazol-4-yl}cyclo­hexan-1-ol
title_full_unstemmed Crystal structure of 1-{1-[2-(phenyl­selan­yl)phen­yl]-1H-1,2,3-triazol-4-yl}cyclo­hexan-1-ol
title_short Crystal structure of 1-{1-[2-(phenyl­selan­yl)phen­yl]-1H-1,2,3-triazol-4-yl}cyclo­hexan-1-ol
title_sort crystal structure of 1-{1-[2-(phenyl­selan­yl)phen­yl]-1h-1,2,3-triazol-4-yl}cyclo­hexan-1-ol
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350684/
https://www.ncbi.nlm.nih.gov/pubmed/25844248
http://dx.doi.org/10.1107/S2056989015003242
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