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Synthesis and Crystal Structure of Picrates of 3,5-Diamino-1,2,4-triazole

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【Author】 ZHAO Penga,b REN Ying-Huib LI Danb ZHAO Feng-Qic YI Jian-Huac SONG Ji-Rongb,d MA Hai-Xiab a(College of Pharmacy,ShaanXi University of Chinese Medicine,Xianyang,Shaanxi 712046,China) b(School of Chemical Engineering,Shaanxi Key Laboratory of Physico-inorganic Chemistry,Northwest University,Xi’an,Shaanxi 710069,China) c(Xi’an Modern Chemistry Research Institute,Xi’an,Shaanxi 710065,China) d(Conservation Technology Department,The Palace Museum,Beijing 100009,China)

【机构】 College of Pharmacy,ShaanXi University of Chinese Medicine； School of Chemical Engineering,Shaanxi Key Laboratory of Physico-inorganic Chemistry,Northwest University； Xi’an Modern Chemistry Research Institute； Conservation Technology Department,The Palace Museum；

【摘要】 The title compound C2N5H6+C6N3O7H2-was synthesized by the reaction of 3,5-diamino-1,2,4-triazole and picric acid in the mixture of ethanol and water solution.Single crystals suitable for X-ray measurement were obtained at room temperature.The structure was characterized by elemental analysis and IR and determined by X-ray diffraction analysis.Crystallographic data:C8N8H8O7,Mr = 328.22,monoclinic,space group C2/c with a = 22.815(2),b = 4.8086(5),c = 22.564(2),β = 93.976(2)°,V = 2469.6(4)3,Dc = 1.766 g/cm3,Z = 8,μ = 0.156 mm-1,F(000) = 1344,the final R= 0.0309,wR= 0.0864.更多还原

【Abstract】 The title compound C2N5H6+C6N3O7H2-was synthesized by the reaction of 3,5-diamino-1,2,4-triazole and picric acid in the mixture of ethanol and water solution.Single crystals suitable for X-ray measurement were obtained at room temperature.The structure was characterized by elemental analysis and IR and determined by X-ray diffraction analysis.Crystallographic data:C8N8H8O7,Mr = 328.22,monoclinic,space group C2/c with a = 22.815(2),b = 4.8086(5),c = 22.564(2),β = 93.976(2)°,V = 2469.6(4)3,Dc = 1.766 g/cm3,Z = 8,μ = 0.156 mm-1,F(000) = 1344,the final R= 0.0309,wR= 0.0864.更多还原

【关键词】 picric acid(PA)； 3； 5-diamino-1； 2； 4-triazole(DAT)； synthesis； X-ray diffraction；
【Key words】 picric acid(PA)； 3； 5-diamino-1； 2； 4-triazole(DAT)； synthesis； X-ray diffraction；

【基金】 Supported by the National Natural Science Foundation of China (No. 20803058);2008 Annual Equipment Fund Projects Focused on Pre-inquiry (No. 9140A28020308BQ3402);Science and Technology Foundation of Northwest University of China (No. NG0908)

【文献出处】结构化学 ,Chinese Journal of Structural Chemistry , 编辑部邮箱 ,2010年06期

【分类号】O626.26
【被引频次】2
【下载频次】114

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