Methyl 7-chloro-2-ethyl­sulfanyl-6-fluoro-4-oxo-4H-thio­chromene-3-carboxyl­ate

In the title compound, C(13)H(10)ClFO(3)S(2), the two-ring system is essentially planar, the mean plane of the benzene ring being inclined at 6.0 (2)° to the plane of the remaining four atoms. The ethyl­sulfanyl group is almost coplanar with the two rings [dihedral angle = 6.4 (2)°], while the carbo...

Descripción completa

Detalles Bibliográficos
Autores principales: Li, Yang, Xiao, Tao, Liu, Dong-liang, Yu, Guang-yan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983649/
https://www.ncbi.nlm.nih.gov/pubmed/21580435
http://dx.doi.org/10.1107/S1600536810002667
_version_ 1782191923694403584
author Li, Yang
Xiao, Tao
Liu, Dong-liang
Yu, Guang-yan
author_facet Li, Yang
Xiao, Tao
Liu, Dong-liang
Yu, Guang-yan
author_sort Li, Yang
collection PubMed
description In the title compound, C(13)H(10)ClFO(3)S(2), the two-ring system is essentially planar, the mean plane of the benzene ring being inclined at 6.0 (2)° to the plane of the remaining four atoms. The ethyl­sulfanyl group is almost coplanar with the two rings [dihedral angle = 6.4 (2)°], while the carboxyl­ate group is almost perpendicular to it [dihedral angle = 72.4 (2)°]. In the crystal structure, inter­molecular C—H⋯O and C—H⋯F hydrogen bonds link the mol­ecules in a stacked arrangement along the a axis.
format Text
id pubmed-2983649
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29836492010-12-30 Methyl 7-chloro-2-ethyl­sulfanyl-6-fluoro-4-oxo-4H-thio­chromene-3-carboxyl­ate Li, Yang Xiao, Tao Liu, Dong-liang Yu, Guang-yan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(10)ClFO(3)S(2), the two-ring system is essentially planar, the mean plane of the benzene ring being inclined at 6.0 (2)° to the plane of the remaining four atoms. The ethyl­sulfanyl group is almost coplanar with the two rings [dihedral angle = 6.4 (2)°], while the carboxyl­ate group is almost perpendicular to it [dihedral angle = 72.4 (2)°]. In the crystal structure, inter­molecular C—H⋯O and C—H⋯F hydrogen bonds link the mol­ecules in a stacked arrangement along the a axis. International Union of Crystallography 2010-02-27 /pmc/articles/PMC2983649/ /pubmed/21580435 http://dx.doi.org/10.1107/S1600536810002667 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
Liu, Dong-liang
Yu, Guang-yan
Methyl 7-chloro-2-ethyl­sulfanyl-6-fluoro-4-oxo-4H-thio­chromene-3-carboxyl­ate
title Methyl 7-chloro-2-ethyl­sulfanyl-6-fluoro-4-oxo-4H-thio­chromene-3-carboxyl­ate
title_full Methyl 7-chloro-2-ethyl­sulfanyl-6-fluoro-4-oxo-4H-thio­chromene-3-carboxyl­ate
title_fullStr Methyl 7-chloro-2-ethyl­sulfanyl-6-fluoro-4-oxo-4H-thio­chromene-3-carboxyl­ate
title_full_unstemmed Methyl 7-chloro-2-ethyl­sulfanyl-6-fluoro-4-oxo-4H-thio­chromene-3-carboxyl­ate
title_short Methyl 7-chloro-2-ethyl­sulfanyl-6-fluoro-4-oxo-4H-thio­chromene-3-carboxyl­ate
title_sort methyl 7-chloro-2-ethyl­sulfanyl-6-fluoro-4-oxo-4h-thio­chromene-3-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983649/
https://www.ncbi.nlm.nih.gov/pubmed/21580435
http://dx.doi.org/10.1107/S1600536810002667
work_keys_str_mv AT liyang methyl7chloro2ethylsulfanyl6fluoro4oxo4hthiochromene3carboxylate
AT xiaotao methyl7chloro2ethylsulfanyl6fluoro4oxo4hthiochromene3carboxylate
AT liudongliang methyl7chloro2ethylsulfanyl6fluoro4oxo4hthiochromene3carboxylate
AT yuguangyan methyl7chloro2ethylsulfanyl6fluoro4oxo4hthiochromene3carboxylate

Ejemplares similares