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 π-π 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-literature | 2010 Jan

REPOSITORIES: biostudies-literature