2-Bromo-1-(4-methylphenyl)-3-phenylprop-2-en-1-one. Corrigendum

Corrigendum to Acta Cryst. (2008), E64, o1559.

In the crystal structure of the title compound, C 16 H 13 BrO, the two benzene rings are twisted from each other with a dihedral angle of 52.55 (9) . Both an intramolecular C-HÁ Á ÁBr hydrogen bond, which generates an S(6) ring motif, and a short BrÁ Á ÁO contact [2.9907 (19) Å ] may influence the conformation of the molecule. The crystal packing is stabilized by weak intermolecular C-HÁ Á ÁO interactions.

S1. Comment
As part of our crystallographic studies on chalcone derivatives (Fun et al., 2008;Patil et al., 2006Patil et al., ,2007 the title compound (I) was synthesized and its crystal structure is reported here.
In the crystal structure of the title compound (I), the bond lengths have have normal values (Allen et al., 1987). The two benzene rings (C1-C6 & C10-C15) are twisted from each other with the dihedral angle of 52.55 (9)°.
Both an intramolecular C-H··· Br hydrogen bond, which generates an S(6) ring motif, and a short Br···O =2.9907 (19)Å contact may influence the conformation of the molecule. The crystal packing is stabilized by weak C-H···O intermolecular interactions.

S3. Refinement
H atoms were positioned geometrically [C-H = 0.93Å and CH 3 =0.96 Å] and refined using a riding-model, with U iso (H) = 1.2U eq (C) and 1.5 eq (C methyl ). A rotating group model was used for the methyl groups.  The molecular structure of the title compound, showing 50% probability displacement ellipsoids and the atom numbering scheme.

Figure 2
The crystal packing of the title compound, viewed along the c axis. Hydrogen bonds and Br···O short contacts are shown as dashed lines. where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max < 0.001 Δρ max = 0.43 e Å −3 Δρ min = −0.54 e Å −3 Special details Experimental. The data was collected with the Oxford Cyrosystem Cobra low-temperature attachment. Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.