(Z)-5-(3,4,5-Tri-meth-oxy-styr-yl)-2,3-di-hydro-thieno[3,4-b][1,4]dioxine.

ABSTRACT: In the title compound, C17H18O5S, an analogue of the potent anti-cancer agent combretastatin A-4, the alkene C=C bond has a cis conformation and the C-C=C-C torsion angle is 9.0?(3)°. The dihedral angle between the benzene and thio-phene rings is 54.07?(4)°. The dioxene ring adopts a half-chair conformation, with the C atoms of the methyl-ene groups displaced by -0.325?(2) and 0.341?(3)?Å from the plane of the other atoms. The C atoms of the two meta-meth-oxy groups are close to being coplanar with their attached benzene ring [displacements = -0.025?(2) and -0.196?(2)?Å], whereas the C atom of the para-meth-oxy group is significantly displaced [by -1.107?(2)?Å]. In the crystal, C-H?O hydrogen bonds link the mol-ecules into [0-11] chains, which feature two different types of R 2 (2)(6) loops.

SUBMITTER: Liu YT 

PROVIDER: S-EPMC3998537 | biostudies-other | 2014 Apr

REPOSITORIES: biostudies-other