(E)-1-(Thio-phen-2-yl)-3-(2,4,6-tri-meth-oxy-phen-yl)prop-2-en-1-one.

ABSTRACT: There are two crystallograpically independent mol-ecules in the asymmetric unit of the title heteroaryl chalcone derivative, C(16)H(16)O(4)S, with slightly different conformations. The thienyl ring of one mol-ecule is disordered over two positions, with a refined site-occupancy ratio of 0.713?(5):0.287?(5). The mol-ecules are twisted: the dihedral angle between the thienyl and benzene rings is 9.72?(19)° in the ordered mol-ecule, and 3.8?(4) and 2.1?(8)° for the major and minor components, respectively, in the disordered mol-ecule. In both mol-ecules, all three substituted meth-oxy groups are coplanar with the benzene ring to which they are attached. In each mol-ecule, a weak intra-molecular C-H?O inter-action generates an S(6) ring motif. In the crystal structure, adjacent mol-ecules are linked into a three-dimensional network by weak C-H?O inter-actions.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3247464 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature