Synthesis and Crystal Structure of 5-Methyl- 2-phenyl-4-(2-p-bromophenylamino)- furylmethylene-3(2H)-one

摘要

A novel 4-heterocyclic acylpyrazolone-based Schiff base compound 5-methyl- 2-phenyl-4-[(2-p-bromophenylamino)-furylmethylene]-3(2H)-one (C21H16N3O2Br) has been syn- thesized by the reaction of 1-phenyl-3-methyl-4-(α-furoyl)-pyrazolone-5 (HPMαFP) and p-bro- moaniline. Elemental analysis, IR spectra and X-ray single-crystal diffraction were carried out to determine the composition and crystal structure of the compound. Crystal data: triclinic system, space group P(1), a = 9.0936(3), b = 9.8067(4), c = 11.6863(4) (A),α = 102.512(10), β = 90.9630(10), γ = 114.327(10)°, Mr = 422.28, Z = 2, F(000) = 428.0, V = 920.46(11) (A)3, Dc = 1.524 g/cm3, μ = 2.254mm-1, R = 0.0476 and wR = 0.1318 for 9389 independent reflections (Rint = 0.0122) and 3281 observed reflections (I > 2σ(I)). Structural analysis indicates that the compound exists in an amine-one form.