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organic compounds
Details of the crystal structure and quantum chemistry calculations of the title molecule, C13H9BrO, illustrate the effects of intermolecular interactions and the substitution of one of the two aromatic rings on the molecular conformation. The asymmetry of the molecule is documented by the two Caryl—Caryl—C=O torsion angles of −68.3 (5) and −17.6 (6)°. A C—H
O hydrogen bond [HO = 2.5 Å, CO = 3.412 (5) Å and C—HO = 174°] and a C—Hπ contact involving the H atom at position 4 of the substituted ring and the π-system of the unsubstituted ring of an adjacent molecule [HCg = 2.96 Å, CCg = 3.806 (5) Å and C—HCg = 153°; where Cg is the centroid of the unsubstituted ring] are observed in the crystal structure.
O hydrogen bond [HO = 2.5 Å, CO = 3.412 (5) Å and C—HO = 174°] and a C—Hπ contact involving the H atom at position 4 of the substituted ring and the π-system of the unsubstituted ring of an adjacent molecule [HCg = 2.96 Å, CCg = 3.806 (5) Å and C—HCg = 153°; where Cg is the centroid of the unsubstituted ring] are observed in the crystal structure. 
