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5-Fluoro-2-methyl-3-phenylsulfonyl-1-benzofuran
There are two symmetry-independent molecules, A and B, in the asymmetric unit of the title compound, C(15)H(11)FO(3)S. The crystal studied was an inversion twin with a 0.21 (12):0.79 (12) domain ratio. In the crystal structure, the two independent molecules are related by a pseudo-inversion center...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979977/ https://www.ncbi.nlm.nih.gov/pubmed/21579700 http://dx.doi.org/10.1107/S1600536809055068 |
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author | Choi, Hong Dae Seo, Pil Ja Son, Byeng Wha Lee, Uk |
author_facet | Choi, Hong Dae Seo, Pil Ja Son, Byeng Wha Lee, Uk |
author_sort | Choi, Hong Dae |
collection | PubMed |
description | There are two symmetry-independent molecules, A and B, in the asymmetric unit of the title compound, C(15)H(11)FO(3)S. The crystal studied was an inversion twin with a 0.21 (12):0.79 (12) domain ratio. In the crystal structure, the two independent molecules are related by a pseudo-inversion center. The dihedral angles formed by the phenyl ring and the plane of the benzofuran fragment are 80.2 (1)° in molecule A and 80.7 (1)° in molecule B. In the crystal structure, the A and B molecules are linked by aromatic π–π interactions between the furan and benzene rings of neighbouring benzofuran systems; the centroid–centroid distances are 3.671 (7) and 3.715 (7) Å. In addition, the crystal structure also exhibits two weak non-classical intermolecular C—H⋯O hydrogen bonds. |
format | Text |
id | pubmed-2979977 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29799772010-12-30 5-Fluoro-2-methyl-3-phenylsulfonyl-1-benzofuran Choi, Hong Dae Seo, Pil Ja Son, Byeng Wha Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two symmetry-independent molecules, A and B, in the asymmetric unit of the title compound, C(15)H(11)FO(3)S. The crystal studied was an inversion twin with a 0.21 (12):0.79 (12) domain ratio. In the crystal structure, the two independent molecules are related by a pseudo-inversion center. The dihedral angles formed by the phenyl ring and the plane of the benzofuran fragment are 80.2 (1)° in molecule A and 80.7 (1)° in molecule B. In the crystal structure, the A and B molecules are linked by aromatic π–π interactions between the furan and benzene rings of neighbouring benzofuran systems; the centroid–centroid distances are 3.671 (7) and 3.715 (7) Å. In addition, the crystal structure also exhibits two weak non-classical intermolecular C—H⋯O hydrogen bonds. International Union of Crystallography 2010-01-09 /pmc/articles/PMC2979977/ /pubmed/21579700 http://dx.doi.org/10.1107/S1600536809055068 Text en © Choi 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 Choi, Hong Dae Seo, Pil Ja Son, Byeng Wha Lee, Uk 5-Fluoro-2-methyl-3-phenylsulfonyl-1-benzofuran |
title | 5-Fluoro-2-methyl-3-phenylsulfonyl-1-benzofuran |
title_full | 5-Fluoro-2-methyl-3-phenylsulfonyl-1-benzofuran |
title_fullStr | 5-Fluoro-2-methyl-3-phenylsulfonyl-1-benzofuran |
title_full_unstemmed | 5-Fluoro-2-methyl-3-phenylsulfonyl-1-benzofuran |
title_short | 5-Fluoro-2-methyl-3-phenylsulfonyl-1-benzofuran |
title_sort | 5-fluoro-2-methyl-3-phenylsulfonyl-1-benzofuran |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979977/ https://www.ncbi.nlm.nih.gov/pubmed/21579700 http://dx.doi.org/10.1107/S1600536809055068 |
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