Dataset Information


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 ?-? inter-actions between the benzene and furan ring [centroid-centroid distance = 3.866?(7)?Å], and by inter-molecular C-H?? 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.

PROVIDER: S-EPMC2969819 | BioStudies | 2009-01-01T00:00:00Z

REPOSITORIES: biostudies

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