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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...

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Detalles Bibliográficos
Autores principales: Choi, Hong Dae, Seo, Pil Ja, Son, Byeng Wha, Lee, Uk
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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