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3-(4-Chlorophenylsulfinyl)-2,4,7-trimethyl-1-benzofuran
In the title compound, C(17)H(15)ClO(2)S, the dihedral angle between the mean plane [r.m.s. deviation = 0.020 (2) Å] of the benzofuran ring system and the mean plane [r.m.s. deviation = 0.011 (1) Å] of the 4-chlorophenyl ring is 72.68 (6)°. In the crystal, molecules are linked via pairs of C—H⋯π...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884416/ https://www.ncbi.nlm.nih.gov/pubmed/24427025 http://dx.doi.org/10.1107/S160053681302117X |
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author | Choi, Hong Dae Seo, Pil Ja Lee, Uk |
author_facet | Choi, Hong Dae Seo, Pil Ja Lee, Uk |
author_sort | Choi, Hong Dae |
collection | PubMed |
description | In the title compound, C(17)H(15)ClO(2)S, the dihedral angle between the mean plane [r.m.s. deviation = 0.020 (2) Å] of the benzofuran ring system and the mean plane [r.m.s. deviation = 0.011 (1) Å] of the 4-chlorophenyl ring is 72.68 (6)°. In the crystal, molecules are linked via pairs of C—H⋯π interactions into inversion dimers. These dimers are further packed by C—H⋯O hydrogen bonds into supramolecular chains running along the a-axis direction. In addition, the crystal structure also exhibits π–π interactions between the 4-chlorophenyl rings of adjacent molecules [centroid–centroid distance = 4.094 (3) Å, interplanar distance = 3.648 (3) Å and slippage = 1.656 (3) Å]. |
format | Online Article Text |
id | pubmed-3884416 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-38844162014-01-14 3-(4-Chlorophenylsulfinyl)-2,4,7-trimethyl-1-benzofuran Choi, Hong Dae Seo, Pil Ja Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(15)ClO(2)S, the dihedral angle between the mean plane [r.m.s. deviation = 0.020 (2) Å] of the benzofuran ring system and the mean plane [r.m.s. deviation = 0.011 (1) Å] of the 4-chlorophenyl ring is 72.68 (6)°. In the crystal, molecules are linked via pairs of C—H⋯π interactions into inversion dimers. These dimers are further packed by C—H⋯O hydrogen bonds into supramolecular chains running along the a-axis direction. In addition, the crystal structure also exhibits π–π interactions between the 4-chlorophenyl rings of adjacent molecules [centroid–centroid distance = 4.094 (3) Å, interplanar distance = 3.648 (3) Å and slippage = 1.656 (3) Å]. International Union of Crystallography 2013-08-03 /pmc/articles/PMC3884416/ /pubmed/24427025 http://dx.doi.org/10.1107/S160053681302117X Text en © Choi et al. 2013 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 Choi, Hong Dae Seo, Pil Ja Lee, Uk 3-(4-Chlorophenylsulfinyl)-2,4,7-trimethyl-1-benzofuran |
title | 3-(4-Chlorophenylsulfinyl)-2,4,7-trimethyl-1-benzofuran |
title_full | 3-(4-Chlorophenylsulfinyl)-2,4,7-trimethyl-1-benzofuran |
title_fullStr | 3-(4-Chlorophenylsulfinyl)-2,4,7-trimethyl-1-benzofuran |
title_full_unstemmed | 3-(4-Chlorophenylsulfinyl)-2,4,7-trimethyl-1-benzofuran |
title_short | 3-(4-Chlorophenylsulfinyl)-2,4,7-trimethyl-1-benzofuran |
title_sort | 3-(4-chlorophenylsulfinyl)-2,4,7-trimethyl-1-benzofuran |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884416/ https://www.ncbi.nlm.nih.gov/pubmed/24427025 http://dx.doi.org/10.1107/S160053681302117X |
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