Microwave-assisted Synthesis and Crystal Structure of 3-Acetamido-1-phenyl-4-(2,6-dichloro)benzylidene-5-pyrazolone |
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作者姓名: | YOU Xin-Kui LIN Zhi-Lan ZHANG Xue-Li GAO Yuan |
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作者单位: | College of Chemistry and Chemical Engineering, Shenzhen University, Shenzhen 518060, China |
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基金项目: | Project supported by the National Natural Science Foundation of China,Natural Science Foundation of Guangdong Province,Science and Technology Program of Shenzhen |
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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) ,V = 3332.9(6) 3,Z = 8,Dc = 1.492 g/cm3,λ = 0.71073 ,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.
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关 键 词: | 微波辅助合成 乙酰氨基 吡唑啉酮 晶体结构 苯亚甲基 苯基 标题化合物 氯 |
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