《1,5-Dimethy-4-[(3-nitro-benzylidene)-amino]-2-pheyl-1,2-dihydro-pyrazol-3-one》.pdfVIP

25 卷1 期 JIEGOU HUAXUE Vol. 25, No. 1 2006. 1 Chinese J. Struct. Chem. 29~32 1,5-Dimethy-4-[(3-nitro-benzylidene)- amino]-2-pheyl-1,2-dihydro-pyrazol-3-one LI Zong-Xiao ZHANG Xin-Li (Department of Chemistry, Baoji University of Arts and Science, Baoji 721007, China) ABSTRCT The title compound C H N O (M = 336.35) has been synthesized and characte- 18 16 4 3 r rized by elemental analysis and single-crystal X-ray diffraction. The Schiff base compound is a deri- vative of 4-aminoantipyrine. As expected, the molecular structure adopts a trans configuration about the central C=N double bond. It crystallizes in orthorhombic, space group P21/c with a = 7.632(1), b = 7.816(1), c = 28.082(5) Å, β = 96.18(1)º, V = 1665.48(51) Å3 3 , Z = 4, D = 1.341 g/cm , F(000) = c –1 704, μ = 0.094 mm , the final R = 0.0448 and wR = 0.1058. Of the total 3748 collections, 3105 were unique. In the molecule there exist two different planes of pyrazoline and C(11)~C(16) phenyl ring, which are approximately coplanar (r.m.s. de deviation from the combined mean plane is 0.03 Å) with the dihedral angle between them of 9.8°. Keywords: 1,5-dimethy-4-[(3-nitro-benzylidene)-amino]-2-pheyl-1,2-dihydro-pyrazol-3-one,