2,4-Dichlorophenyl 4-bromobenzenesulfonate

In the title molecule, C12H7BrCl2O3S, the dihedral angle between the two benzene rings is 55.18 (5)°. The notable intermolecular contacts include C—H⋯O and π–π interactions [centroid–centroid distances = 4.037 (1) and 3.349 (1) Å].


Related literature
The C4-S-O3-C7 torsion angle of 65.86 (14)° corresponds to +synclinal conformation; as expected the dihedral angle between the mean planes of the 2,4-dichlorophenyl and bromobenzene rings of 55.18 (5)° shows that the two rings are not coplanar. This is similar to the situation reported by us for other aromatic sulfonates (Vembu et al. 2007 and references cited therein).

Refinement
All H-atoms were located in difference maps and their positions and isotropic displacement parameters freely refined.
supplementary materials sup-2 Figures Fig. 1. The asymmetric unit with the atoms labelled and displacement ellipsoids depicted at the 50% probability level for all non-H atoms. H-atoms are drawn as spheres of arbitrary radius.

Special details
Geometry. All su's (except the su in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell su's are taken into account individually in the estimation of su's in distances, angles and torsion angles; correlations between su's in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell su's is used for estimating su'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 Rfactors(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.