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Crystal structure of 5-chloro-3-(4-fluoro­phenyl­sulfin­yl)-2,4,6-trimethyl-1-benzo­furan

In the title compound, C(17)H(14)ClFO(2)S, the dihedral angle between the mean planes of the benzo­furan ring system [maximum deviation = 0.037 (2) Å] and the 4-fluoro­benzene ring is 71.92 (5)°. An intra­molecular C—H⋯O hydrogen bond occurs. In the crystal, mol­ecules are linked by π–π stacking bet...

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Detalles Bibliográficos
Autores principales: Choi, Hong Dae, Lee, Uk
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257165/
https://www.ncbi.nlm.nih.gov/pubmed/25484681
http://dx.doi.org/10.1107/S1600536814019229
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author Choi, Hong Dae
Lee, Uk
author_facet Choi, Hong Dae
Lee, Uk
author_sort Choi, Hong Dae
collection PubMed
description In the title compound, C(17)H(14)ClFO(2)S, the dihedral angle between the mean planes of the benzo­furan ring system [maximum deviation = 0.037 (2) Å] and the 4-fluoro­benzene ring is 71.92 (5)°. An intra­molecular C—H⋯O hydrogen bond occurs. In the crystal, mol­ecules are linked by π–π stacking between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.7103 (10) Å]. These mol­ecules are further linked by C—S⋯π [S⋯centroid = 3.570 (1) Å] and C—H⋯O inter­actions, resulting in a three-dimensional supra­molecular network.
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spelling pubmed-42571652014-12-05 Crystal structure of 5-chloro-3-(4-fluoro­phenyl­sulfin­yl)-2,4,6-trimethyl-1-benzo­furan Choi, Hong Dae Lee, Uk Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(17)H(14)ClFO(2)S, the dihedral angle between the mean planes of the benzo­furan ring system [maximum deviation = 0.037 (2) Å] and the 4-fluoro­benzene ring is 71.92 (5)°. An intra­molecular C—H⋯O hydrogen bond occurs. In the crystal, mol­ecules are linked by π–π stacking between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.7103 (10) Å]. These mol­ecules are further linked by C—S⋯π [S⋯centroid = 3.570 (1) Å] and C—H⋯O inter­actions, resulting in a three-dimensional supra­molecular network. International Union of Crystallography 2014-09-03 /pmc/articles/PMC4257165/ /pubmed/25484681 http://dx.doi.org/10.1107/S1600536814019229 Text en © Choi and Lee 2014 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
Choi, Hong Dae
Lee, Uk
Crystal structure of 5-chloro-3-(4-fluoro­phenyl­sulfin­yl)-2,4,6-trimethyl-1-benzo­furan
title Crystal structure of 5-chloro-3-(4-fluoro­phenyl­sulfin­yl)-2,4,6-trimethyl-1-benzo­furan
title_full Crystal structure of 5-chloro-3-(4-fluoro­phenyl­sulfin­yl)-2,4,6-trimethyl-1-benzo­furan
title_fullStr Crystal structure of 5-chloro-3-(4-fluoro­phenyl­sulfin­yl)-2,4,6-trimethyl-1-benzo­furan
title_full_unstemmed Crystal structure of 5-chloro-3-(4-fluoro­phenyl­sulfin­yl)-2,4,6-trimethyl-1-benzo­furan
title_short Crystal structure of 5-chloro-3-(4-fluoro­phenyl­sulfin­yl)-2,4,6-trimethyl-1-benzo­furan
title_sort crystal structure of 5-chloro-3-(4-fluoro­phenyl­sulfin­yl)-2,4,6-trimethyl-1-benzo­furan
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257165/
https://www.ncbi.nlm.nih.gov/pubmed/25484681
http://dx.doi.org/10.1107/S1600536814019229
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