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

ABSTRACT: The overall shape of the mol-ecule of the title compound, C(17)H(15)BrO(2), can be described by the dihedral angles between three planar fragments: 1-bromo-2-meth-oxy-phenyl ring [maximum deviation = 0.003?(2)?Å], the central prop-2-en-1-one chain [maximum deviation = 0.005?(2)?Å], and the methyl-phenyl ring [maximum deviation = 0.004?(2)?Å]. The terminal planes are twisted by 10.37?(12)°, while the central plane is almost coplanar with the methyl-phenyl ring [3.30?(13)°], but the dihedral angle with the other phenyl ring is significantly larger [8.76?(16)°]. In the crystal, mol-ecules are linked into chains along [001] by three C-H?O hydrogen bonds. These chains inter-act with each other by means of weak ?-? contacts [centroid-centroid distances = 3.73?(1) and 3.44?(1)?Å]. An inter-molecular C-H?Br inter-action also occurs.

SUBMITTER: Dutkiewicz G 

PROVIDER: S-EPMC3099759 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature