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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-4257165 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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