Molecular conformation and electronic structure. II: Crystal and molecular structure ofN-(p-bromobenzylidene)-p-bromoaniline

The structure of the title compound C₁₃H₉Br₂N has been determined with MoKα₁ diffractometer data, and refined by full-matrix least squares toR = 0.061 for 888 observed reflections. The crystals are monoclinic: space groupP2₁/a,a = 24.912(13),b = 5.877(1),c = 4.046(1) Å,β = 92.42(3) °Z = 2. The uv absorption spectrum indicates a nonplanar conformation in solution. In the solid, the molecule is disordered about a crystallographic inversion center and is planar to within 0.045 Å.