Ontology highlight
ABSTRACT:
SUBMITTER: Jasinski JP
PROVIDER: S-EPMC3006708 | biostudies-literature | 2010 Jun
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20100616 Pt 7
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. ...[more]