5-(4-Bromo-phen-yl)-2-(3,4-methyl-ene-dioxy-phen-yl)-3-methyl-sulfanyl-1-benzofuran.

ABSTRACT: The title compound, C(22)H(15)BrO(3)S, crystallizes with four mol-ecules in the asymmetric unit. The 4-bromo-phenyl rings are rotated out of the benzofuran planes, with dihedral angles for the four mol-ecules of 20.8?(2), 17.8?(2), 23.5?(4) and 23.9?(4)°. The dihedral angles between the 3,4-methyl-ene-dioxy-phenyl ring and the benzofuran plane are 13.5?(2), 7.1?(2), 18.6?(3) and 14.2?(3)° in the four mol-ecules. The crystal structure is stabilized by weak nonclassical inter-molecular C-H?O hydrogen bonds. The crystal structure also exhibits inter-molecular aromatic ?-? inter-actions between the benzene and furan rings and between the 4-bromo-phenyl and 3,4-methyl-enedioxy-phenyl rings from mol-ecules of the same type; the centroid-centroid distances are 3.92?(1) and 3.79?(1), 3.91?(1), 3.77?(1) and 3.77?(1), and 3.79?(1) and 3.75?(1)Å in the four mol-ecules.

SUBMITTER: Choi HD 

PROVIDER: S-EPMC2970320 | biostudies-other | 2009

REPOSITORIES: biostudies-other