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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 |
Publicado: |
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 |
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. |
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