| Abstract: | The title compound trans-4-[(5-(2,4-dichlorophenoxy)-3-methyl-1-phenyl-1H-pyra-zol-4-yl)methyleneamino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 3 (C28H23CI2N5O2,Mr = 532.41) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis.It crystallizes in triclinic, space group P1- with a = 8.9438(4), b = 11.6065(5), c = 14.2215(6) (A), α = 112.566(1),β= 92.324(2), γ= 102.91(1)°,V= 1315.65(10)(A)3,Z = 2, Dc = 1.344 g/cm3,μ(MoKα) = 0.282 mm-1, λ= 0.71073 (A), F(000) = 552, the final R =0.0587 and wR = 0.1578 for 5071 observed reflections (I ＞ 2σ(I)).X-ray analysis reveals that the product is a thermodynamically stable trans isomer.Intra-and intermolecular C(12)-H(12)…O(1) and C(28)-H(28)…O(1)#1 hydrogen bonds were observed in the title compound. |
