Synthesis and Crystal Structure of Trans-4-[ (5-( 2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyleneamino]-1,5-dimethyl-2-phenyl-l,2-dihydropyrazol-3-one |
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作者姓名: | SUN Feng-Mei TIAN Meng-Kui YANG Jing-Hua LIAN Zhao-Xun |
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作者单位: | School of Chemistry and Chemical Engineering,Henan Institute of Science and Technology, Xinxiang 453003, China |
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基金项目: | This work was supported by the Science Research Foundation of Henan Institute of Science and Technology (No. 06036) |
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摘 要: | The title compound trans-4-(5-(2,4-dichlorophenoxy)-3-methyl- 1-phenyl-1H-pyrazol-4-yl)methyleneamino]- 1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 3 (C28H23Cl2N5O2, 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/cm^3,μ(MoKa) = 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.
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关 键 词: | 合成 晶体结构 二氢吡唑酮 亚甲基氨基 结构分析 |
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