5-Iodo-2,7-dimethyl-3-phenyl-sulfonyl-1-benzofuran.

ABSTRACT: The title compound, C(16)H(13)IO(3)S, was prepared by the oxidation of 5-iodo-2,7-dimethyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 76.31?(8)° with the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules, and between the benzene rings of neighbouring mol-ecules; the centroid-centroid distances within the stack are 3.700?(4) and 3.788?(4)?Å. In addition, the crystal structure exhibits inter- and intra-molecular C-H?O inter-actions, and an I?O halogen bond with an I?O distance of 3.282?(2)?Å and a nearly linear C-I?O angle of 165.69?(8)°.

SUBMITTER: Choi HD 

PROVIDER: S-EPMC2961136 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature