摘要The title compound, 3-acetamido-1-phenyl-4-(2,6-dichloro)benzylidene-5-pyrazolone (C18H13Cl2N3O2, Mr = 374.21), has been synthesized by one-step condensation of 2,6-dichloroben- zaldehyde with acetic anhydride and 3-amino-1-phenyl-5-pyrazolone under microwave irradiation. The compound was characterized by means of IR and 1H NMR. Its crystal and molecular structure were determined by X-ray diffractometry. It belongs to the orthorhombic system, space group Pbca, with a = 12.5312(13), b = 8.5495(9), c = 31.110(3) Å, γ = 90(3)°, V = 3332.9(6) Å3, Z = 8, Dc = 1.492 g/cm3, λ= 0.71073 Å, μ(MoKα) = 0.407 mm-1, F(000) = 1536, the final R = 0.0394 and wR = 0.0984. A total of 15894 reflections were collected, of which 3630 were independent (Rint = 0.0362). There exist three planes in the molecular structure. X-ray analysis reveals that the dihedral angles between planes 1 and 2, 1 and 3 and 3 and 2 are 80.89, 74.29 and 20.57°, respectively.
Abstract：The title compound, 3-acetamido-1-phenyl-4-(2,6-dichloro)benzylidene-5-pyrazolone (C18H13Cl2N3O2, Mr = 374.21), has been synthesized by one-step condensation of 2,6-dichloroben- zaldehyde with acetic anhydride and 3-amino-1-phenyl-5-pyrazolone under microwave irradiation. The compound was characterized by means of IR and 1H NMR. Its crystal and molecular structure were determined by X-ray diffractometry. It belongs to the orthorhombic system, space group Pbca, with a = 12.5312(13), b = 8.5495(9), c = 31.110(3) Å, γ = 90(3)°, V = 3332.9(6) Å3, Z = 8, Dc = 1.492 g/cm3, λ= 0.71073 Å, μ(MoKα) = 0.407 mm-1, F(000) = 1536, the final R = 0.0394 and wR = 0.0984. A total of 15894 reflections were collected, of which 3630 were independent (Rint = 0.0362). There exist three planes in the molecular structure. X-ray analysis reveals that the dihedral angles between planes 1 and 2, 1 and 3 and 3 and 2 are 80.89, 74.29 and 20.57°, respectively.
2011, Vol. 30 
