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2-Ethylsulfanyl-7-fluoro-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-4-one
The asymmetric unit of the title compound, C(13)H(10)FN(3)OS(2), contains two independent molecules, which differ slightly in the relative orientations of the triazole and ethylsulfanyl groups with respect to the planar thiochromen-4-one frameworks. The dihedral angles between the mean planes of...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007947/ https://www.ncbi.nlm.nih.gov/pubmed/21588584 http://dx.doi.org/10.1107/S1600536810030175 |
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author | Xiao, Tao Li, Yang Liu, Dong-liang Yu, Guang-yan |
author_facet | Xiao, Tao Li, Yang Liu, Dong-liang Yu, Guang-yan |
author_sort | Xiao, Tao |
collection | PubMed |
description | The asymmetric unit of the title compound, C(13)H(10)FN(3)OS(2), contains two independent molecules, which differ slightly in the relative orientations of the triazole and ethylsulfanyl groups with respect to the planar thiochromen-4-one frameworks. The dihedral angles between the mean planes of the triazole groups and the corresponding six-membered C(5)OS rings are 56.8 (1) and 52.9 (1)°, while the S—C—S—C dihedral angles are −11.7 (2) and −16.3 (2)°. In the crystal structure, intermolecular C—H⋯O and C—H⋯N hydrogen bonds link the molecules in a stacked arrangement along the a axis. A weak intramolecular C—H⋯·O interaction results in the formation of a non-planar five-membered ring. |
format | Text |
id | pubmed-3007947 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30079472010-12-30 2-Ethylsulfanyl-7-fluoro-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-4-one Xiao, Tao Li, Yang Liu, Dong-liang Yu, Guang-yan Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(13)H(10)FN(3)OS(2), contains two independent molecules, which differ slightly in the relative orientations of the triazole and ethylsulfanyl groups with respect to the planar thiochromen-4-one frameworks. The dihedral angles between the mean planes of the triazole groups and the corresponding six-membered C(5)OS rings are 56.8 (1) and 52.9 (1)°, while the S—C—S—C dihedral angles are −11.7 (2) and −16.3 (2)°. In the crystal structure, intermolecular C—H⋯O and C—H⋯N hydrogen bonds link the molecules in a stacked arrangement along the a axis. A weak intramolecular C—H⋯·O interaction results in the formation of a non-planar five-membered ring. International Union of Crystallography 2010-08-04 /pmc/articles/PMC3007947/ /pubmed/21588584 http://dx.doi.org/10.1107/S1600536810030175 Text en © Xiao et al. 2010 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 Xiao, Tao Li, Yang Liu, Dong-liang Yu, Guang-yan 2-Ethylsulfanyl-7-fluoro-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-4-one |
title | 2-Ethylsulfanyl-7-fluoro-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-4-one |
title_full | 2-Ethylsulfanyl-7-fluoro-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-4-one |
title_fullStr | 2-Ethylsulfanyl-7-fluoro-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-4-one |
title_full_unstemmed | 2-Ethylsulfanyl-7-fluoro-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-4-one |
title_short | 2-Ethylsulfanyl-7-fluoro-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-4-one |
title_sort | 2-ethylsulfanyl-7-fluoro-3-(1h-1,2,4-triazol-1-yl)-4h-thiochromen-4-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007947/ https://www.ncbi.nlm.nih.gov/pubmed/21588584 http://dx.doi.org/10.1107/S1600536810030175 |
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