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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4350684 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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