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Crystal structure of 1-{2-[(2-methoxyphenyl)selanyl]phenyl}-4-phenyl-1H-1,2,3-triazole
In the title compound, C(21)H(17)N(3)OSe, the dihedral angles between the central five-membered ring and the C- and N-bound rings are 17.89 (10) and 42.35 (10)°, respectively, indicating the molecule is twisted. The dihedral angle between the Se-bound rings is 85.36 (10)°. A close intramolecular S...
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/PMC4350762/ https://www.ncbi.nlm.nih.gov/pubmed/25844249 http://dx.doi.org/10.1107/S2056989015003230 |
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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 | In the title compound, C(21)H(17)N(3)OSe, the dihedral angles between the central five-membered ring and the C- and N-bound rings are 17.89 (10) and 42.35 (10)°, respectively, indicating the molecule is twisted. The dihedral angle between the Se-bound rings is 85.36 (10)°. A close intramolecular Se⋯O contact of 2.8507 (13) Å is noted. In the crystal, C—H⋯O, C—H⋯N and C—H⋯π interactions lead to the formation of supramolecular layers parallel to (011); these stack with no specific intermolecular interactions between them. |
format | Online Article Text |
id | pubmed-4350762 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43507622015-04-03 Crystal structure of 1-{2-[(2-methoxyphenyl)selanyl]phenyl}-4-phenyl-1H-1,2,3-triazole Camargo, Leandro R. S. Zukerman-Schpector, Julio Deobald, Anna M. Braga, Antonio L. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(21)H(17)N(3)OSe, the dihedral angles between the central five-membered ring and the C- and N-bound rings are 17.89 (10) and 42.35 (10)°, respectively, indicating the molecule is twisted. The dihedral angle between the Se-bound rings is 85.36 (10)°. A close intramolecular Se⋯O contact of 2.8507 (13) Å is noted. In the crystal, C—H⋯O, C—H⋯N and C—H⋯π interactions lead to the formation of supramolecular layers parallel to (011); these stack with no specific intermolecular interactions between them. International Union of Crystallography 2015-02-25 /pmc/articles/PMC4350762/ /pubmed/25844249 http://dx.doi.org/10.1107/S2056989015003230 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-{2-[(2-methoxyphenyl)selanyl]phenyl}-4-phenyl-1H-1,2,3-triazole |
title | Crystal structure of 1-{2-[(2-methoxyphenyl)selanyl]phenyl}-4-phenyl-1H-1,2,3-triazole |
title_full | Crystal structure of 1-{2-[(2-methoxyphenyl)selanyl]phenyl}-4-phenyl-1H-1,2,3-triazole |
title_fullStr | Crystal structure of 1-{2-[(2-methoxyphenyl)selanyl]phenyl}-4-phenyl-1H-1,2,3-triazole |
title_full_unstemmed | Crystal structure of 1-{2-[(2-methoxyphenyl)selanyl]phenyl}-4-phenyl-1H-1,2,3-triazole |
title_short | Crystal structure of 1-{2-[(2-methoxyphenyl)selanyl]phenyl}-4-phenyl-1H-1,2,3-triazole |
title_sort | crystal structure of 1-{2-[(2-methoxyphenyl)selanyl]phenyl}-4-phenyl-1h-1,2,3-triazole |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350762/ https://www.ncbi.nlm.nih.gov/pubmed/25844249 http://dx.doi.org/10.1107/S2056989015003230 |
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