(E)-1-(2-Thien-yl)-3-(2,4,5-trimethoxy-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title mol-ecule, C(16)H(16)O(4)S, the enone fragment, thio-phene ring and benzene ring are individually essentially planar. The thio-phene ring is disordered over two sites, corresponding to a rotation of approximately 180° about the single C-C bond to which it is attached. The approximate ratio of occupancies for the major and minor components is 0.872?(2):0.128?(2). The major component of the thio-phene ring and the benzene ring are twisted from each other by 13.92?(19)°. An intra-molecular C-H?O hydrogen bond generates an S(5)S(5) ring motif. The crystal structure is stabilized by inter-molecular C-H?O hydrogen-bonding inter-actions. In addition, a ?-? stacking inter-action, with a centroid-centroid distance of 3.852?(2)?Å, and short S?O [2.9378?(12)?Å] and O?O [2.5811?(16)?Å] contacts are observed.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC2962137 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature