2-Bromo-1-phenylethanone

The title compound, C8H7BrO, is a halogenated derivative of acetophenone. The molecule shows noncrystallographic Cs symmetry. The intracyclic C—C—C angles cover the range 118.8 (2)–120.4 (3)°. In the crystal structure, C—H⋯O contacts connect the molecules into undulating sheets perpendicular to the crystallographic c axis.

The title compound, C 8 H 7 BrO, is a halogenated derivative of acetophenone. The molecule shows noncrystallographic C s symmetry. The intracyclic C-C-C angles cover the range 118.8 (2)-120.4 (3) . In the crystal structure, C-HÁ Á ÁO contacts connect the molecules into undulating sheets perpendicular to the crystallographic c axis.

Structure Reports Online
Intracyclic C-C-C angles span a range from 118-120°. The smallest angle is found on the C atom bearing the carbonylic substituent while the second smallest one is found on the C atom in para-position. The atoms of the aliphatic substituent are nearly coplanar with the aromatic system and its conjugated carbonyl group, the least-squares planes defined by their respective atoms intersect at an angle of only 4.18 (15)°.
In the crystal structure, C-H···O contacts can be observed which stem from both H atoms of the methylene group as well as one of the H atoms in ortho-position to the substituent on the phenyl ring. The carbonylic O atom serves as threefold acceptor (Fig. 2). Describing these contacts in terms of graph-set analysis necessitates a C(4)C(4)C(5) descriptor on the unitary level. In total, the molecules are connected to waved sheets perpendicular to the crystallographic c axis. The shortest distance between the centroids of two π-systems was measured at 5.8289 (17) Å.
The packing of the compound in the crystal is shown in Fig. 3.

Experimental
The compound was obtained commercially (Schuchardt). Crystals suitable for the X-ray diffraction study were taken directly from the provided batch.

Refinement
Carbon-bound H atoms were placed in calculated positions (C-H 0.99 Å for the methylene group and C-H 0.95 Å for aromatic C atoms) and were included in the refinement in the riding model approximation, with U(H) set to 1.2U eq (C). Fig. 1. The molecular structure of the title compound, with atom labels and anisotropic displacement ellipsoids (drawn at 50% probability level).