Methyl 2-(5-iodo-7-methyl-3-methyl-sulfinyl-1-benzofuran-2-yl)acetate.

ABSTRACT: There are two symmetry-independent mol-ecules in the asymmetric unit of the title compound, C(13)H(13)IO(4)S. In each mol-ecule, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic π-π inter-actions between the benzene and furan ring [centroid-centroid distance = 3.866 (7) Å], and by inter-molecular C-H⋯π inter-actions and a sulfin-yl-sulfinyl inter-action [S⋯O = 3.025 (4) Å]. The crystal structure also exhibits weak inter-molecular C-H⋯O hydrogen bonds and two different I⋯O halogen bonds.

SUBMITTER: Choi HD 

PROVIDER: S-EPMC2969819 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature