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5-Fluoro-2-methyl-3-phenyl-sulfonyl-1-benzofuran.


ABSTRACT: There are two symmetry-independent mol-ecules, 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 mol-ecules 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 mol-ecule A and 80.7?(1)° in mol-ecule B. In the crystal structure, the A and B mol-ecules are linked by aromatic ?-? inter-actions 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 inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Choi HD 

PROVIDER: S-EPMC2979977 | BioStudies | 2010-01-01T00:00:00Z

REPOSITORIES: biostudies

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