2-(2-Fluoro-phen-yl)-5-iodo-7-methyl-3-methyl-sulfinyl-1-benzo-furan.

ABSTRACT: In the title compound, C16H12FIO2S, the dihedral angle between the plane of the benzo-furan ring system (r.m.s. deviation = 0.023?Å) and that of the 2-fluoro-phenyl ring is 39.78?(7)°. In the crystal, mol-ecules are linked via pairs of I?? contacts [3.812?(2)?Å] and a ?-? inter-action between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.821?(2)?Å] into inversion dimers. These dimers are further linked by ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.668?(2)?Å]. The mol-ecules stack along the a-axis direction. In addition, C-H?O hydrogen bonds are observed between inversion-related dimers.

SUBMITTER: Choi HD 

PROVIDER: S-EPMC4051089 | biostudies-other | 2014 Jun

REPOSITORIES: biostudies-other