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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...

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Detalles Bibliográficos
Autores principales: Xiao, Tao, Li, Yang, Liu, Dong-liang, Yu, Guang-yan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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AT yuguangyan 2ethylsulfanyl7fluoro31h124triazol1yl4hthiochromen4one