X-ray analysis and spectral data of β--cinnamanilide reveal the course of reaction of benzoylacetanilide with POBr3

Article abstract of DOI:10.1007/BF01156090

The reaction of benzoylacetanilide with the excess of POBr3 furnished monomolecular products and the bimolecular β--cinnamanilide.Its structure was elucidated by means of elemental analysis, IR, 1H NMR and mass spectral data as well as X-ray analysis, which proved that the reaction mentioned goes via condensation.C30H23BrN2O2 crystallizes with two independent molecules in an asymmetric unit in the orthorhombic space group P2₁2₁2₁ with a₃ = 9.834(3), b = 19.614(2), c = 26.450(6) Angstroem, Z = 8, V = 5101(4) Angstroem³, D_m = 1.34, D_x = 1.36 mg m^-3, F(000) = 2151, M_r = 523.107, μ = 2.25 mm^-1, λ(Cu Kα) = 1.54178 Angstroem, T = 293 K; the final R factor was 0.067