(2E)-1-(2-Bromo-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C(16)H(13)BrO(2), two benzene rings form a dihedral angle of 44.3 (9)°. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains propagating in [010]. The crystal packing also exhibits short Br⋯Br contacts of 3.4787 (8) Å. A comparison of the DFT-optimized gas-phase mol-ecular geometry with that in the crystal structure revealed only small differences.

SUBMITTER: Jasinski JP 

PROVIDER: S-EPMC3006708 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature