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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
Descripción
Sumario: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.