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5-Cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran
In the title compound, C(21)H(22)O(2)S, the cyclopentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The benzofuran unit is essentially planar, with a mean deviation from the least-squares plane defined by the nine constituent ring atoms of 0.008 (2) ...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515229/ https://www.ncbi.nlm.nih.gov/pubmed/23284449 http://dx.doi.org/10.1107/S1600536812042249 |
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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(21)H(22)O(2)S, the cyclopentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The benzofuran unit is essentially planar, with a mean deviation from the least-squares plane defined by the nine constituent ring atoms of 0.008 (2) Å. In the crystal, molecules are linked via pairs of C—H⋯π interactions, forming inversion dimers. In the ring of the 4-methylphenyl group, four C atoms and their attached H atoms are disordered over two sets of sites, with site-ccupancy factors of 0.899 (5) and 0.10. |
format | Online Article Text |
id | pubmed-3515229 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35152292013-01-02 5-Cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran Choi, Hong Dae Seo, Pil Ja Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(22)O(2)S, the cyclopentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The benzofuran unit is essentially planar, with a mean deviation from the least-squares plane defined by the nine constituent ring atoms of 0.008 (2) Å. In the crystal, molecules are linked via pairs of C—H⋯π interactions, forming inversion dimers. In the ring of the 4-methylphenyl group, four C atoms and their attached H atoms are disordered over two sets of sites, with site-ccupancy factors of 0.899 (5) and 0.10. International Union of Crystallography 2012-10-13 /pmc/articles/PMC3515229/ /pubmed/23284449 http://dx.doi.org/10.1107/S1600536812042249 Text en © Choi et al. 2012 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 5-Cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran |
title | 5-Cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran |
title_full | 5-Cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran |
title_fullStr | 5-Cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran |
title_full_unstemmed | 5-Cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran |
title_short | 5-Cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran |
title_sort | 5-cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515229/ https://www.ncbi.nlm.nih.gov/pubmed/23284449 http://dx.doi.org/10.1107/S1600536812042249 |
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