(1E,4E)-1,5-Bis(2,4,6-trimeth-oxy-phen-yl)penta-1,4-dien-3-one.

ABSTRACT: There are two crystallographically independent mol-ecules in the asymmetric unit of the title bis-chalcone derivative, C(23)H(26)O(7). The mol-ecules are unsymmetrical and almost planar: the dihedral angle between two benzene rings is 1.04?(7)° in one mol-ecule and 2.31?(7)° in the other. The central penta-1,4-dien-3-one fragment makes dihedral angles of 7.61?(7) and 6.82?(7)° with the two adjacent benzene rings in one mol-ecule, while the corresponding values are 7.85?(7) and 9.42?(6)° in the other. In both mol-ecules, the three meth-oxy groups of the two 2,4,6-trimeth-oxy-phenyl units are coplanar with the attached benzene rings [C-O-C-C- torsion angles of -1.5?(2), -7.2?(2) and 4.1?(2)° in one mol-ecule and -0.7?(2), -5.5?(2) and -0.6?(2)° in the other]. The mol-ecular conformations are stabilized by weak intra-molecular C-H?O inter-actions generating two S(6) ring motifs. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O inter-actions into zigzag chains parallel to the c axis. The crystal structure is further stabilized by C-H?? inter-actions and ?-? inter-actions with centroid-centroid distances of 3.6433?(8)?Å.

SUBMITTER: Ruanwas P 

PROVIDER: S-EPMC3050352 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature