Ethyl 2-{[7-fluoro-4-oxo-3-(1H-1,2,4-triazol-1-yl)-4H-thio­chromen-2-yl]sulfan­yl}acetate

In the title compound, C(15)H(12)FN(3)O(3)S(2), the two six-membered rings are essentially coplanar, their mean plnes making a dihedral angle of 1.1 (2)°. The carbonyl C, the two attached non-fused C atoms and the S atom deviate from the plane of the benzene ring by −0.046 (5), −0.017 (5), 0.000 (6)...

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Detalles Bibliográficos
Autores principales: Li, Yang, Xiao, Tao, Yu, Guang-yan, Liu, Dong-liang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007513/
https://www.ncbi.nlm.nih.gov/pubmed/21588373
http://dx.doi.org/10.1107/S1600536810027467
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author Li, Yang
Xiao, Tao
Yu, Guang-yan
Liu, Dong-liang
author_facet Li, Yang
Xiao, Tao
Yu, Guang-yan
Liu, Dong-liang
author_sort Li, Yang
collection PubMed
description In the title compound, C(15)H(12)FN(3)O(3)S(2), the two six-membered rings are essentially coplanar, their mean plnes making a dihedral angle of 1.1 (2)°. The carbonyl C, the two attached non-fused C atoms and the S atom deviate from the plane of the benzene ring by −0.046 (5), −0.017 (5), 0.000 (6), 0.026 (4) Å, respectively. The angle between the mean planes of the triazole ring and the sulfur heterocycle is 53.3 (1)°. In the crystal, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules in a stacked arrangement along the a axis.
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spelling pubmed-30075132010-12-30 Ethyl 2-{[7-fluoro-4-oxo-3-(1H-1,2,4-triazol-1-yl)-4H-thio­chromen-2-yl]sulfan­yl}acetate Li, Yang Xiao, Tao Yu, Guang-yan Liu, Dong-liang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(12)FN(3)O(3)S(2), the two six-membered rings are essentially coplanar, their mean plnes making a dihedral angle of 1.1 (2)°. The carbonyl C, the two attached non-fused C atoms and the S atom deviate from the plane of the benzene ring by −0.046 (5), −0.017 (5), 0.000 (6), 0.026 (4) Å, respectively. The angle between the mean planes of the triazole ring and the sulfur heterocycle is 53.3 (1)°. In the crystal, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules in a stacked arrangement along the a axis. International Union of Crystallography 2010-07-21 /pmc/articles/PMC3007513/ /pubmed/21588373 http://dx.doi.org/10.1107/S1600536810027467 Text en © Li 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
Li, Yang
Xiao, Tao
Yu, Guang-yan
Liu, Dong-liang
Ethyl 2-{[7-fluoro-4-oxo-3-(1H-1,2,4-triazol-1-yl)-4H-thio­chromen-2-yl]sulfan­yl}acetate
title Ethyl 2-{[7-fluoro-4-oxo-3-(1H-1,2,4-triazol-1-yl)-4H-thio­chromen-2-yl]sulfan­yl}acetate
title_full Ethyl 2-{[7-fluoro-4-oxo-3-(1H-1,2,4-triazol-1-yl)-4H-thio­chromen-2-yl]sulfan­yl}acetate
title_fullStr Ethyl 2-{[7-fluoro-4-oxo-3-(1H-1,2,4-triazol-1-yl)-4H-thio­chromen-2-yl]sulfan­yl}acetate
title_full_unstemmed Ethyl 2-{[7-fluoro-4-oxo-3-(1H-1,2,4-triazol-1-yl)-4H-thio­chromen-2-yl]sulfan­yl}acetate
title_short Ethyl 2-{[7-fluoro-4-oxo-3-(1H-1,2,4-triazol-1-yl)-4H-thio­chromen-2-yl]sulfan­yl}acetate
title_sort ethyl 2-{[7-fluoro-4-oxo-3-(1h-1,2,4-triazol-1-yl)-4h-thio­chromen-2-yl]sulfan­yl}acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007513/
https://www.ncbi.nlm.nih.gov/pubmed/21588373
http://dx.doi.org/10.1107/S1600536810027467
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AT xiaotao ethyl27fluoro4oxo31h124triazol1yl4hthiochromen2ylsulfanylacetate
AT yuguangyan ethyl27fluoro4oxo31h124triazol1yl4hthiochromen2ylsulfanylacetate
AT liudongliang ethyl27fluoro4oxo31h124triazol1yl4hthiochromen2ylsulfanylacetate

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