Crystal Structures of Schiff Base from 4-Aminoantipyrine and Pyridine-2-carboxaldehyde and Its Perchlorate  

作　　者：谭明雄 刘冰 刘延成 陈振锋 周忠远 梁宏 

机构地区：[1]School of Chemistry and Chemical Engineering,Central South University [2]Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources (Guangxi Normal University),Ministry of Education of China [3]School of Chemistry and Chemical Engineering of Guangxi Normal University [4]Department of Chemistry and Biology of Yulin Normal College [5]Department of Applied Biology and Chemical Technology,Hong Kong Polytechnic University

出　　处：《Chinese Journal of Structural Chemistry》2008年第12期1506-1510,共5页结构化学（英文）

基　　金：supported by the NSF of Guangxi Province (No. 0575046, 0575049);the Program for New Century Ten-Hundred-Thousand Excellent Talents of Guangxi (No. 2003223);the National Natural Science Foundation of China (No. 20361002, 30460153) as well as TRAPOYT;NCET-04-0836 of Chinese Ministry of Education

摘　　要：The Schiff base pyridine-2-carboxaldehyde-4-aminoantipyrine （CI7H16N4O 1） and its perchlorate （C17H17N4O·ClO4 2） have been prepared and characterized by elemental analysis, IR spectra and single-crystal X-ray crystallography analysis. Both 1 and 2 crystallize in the monoclinic system, space group P21/c. For 1, a = 8.6820（12）, b = 24.934（3）, c = 7.0064（10） A,, β= 97.942（3）°, V = 1502.2（4） A^3, Z = 4, Dc = 1.293 g/cm^3, F（000） = 616,μ = 0.084 mm^-1, the final R = 0.0592 and wR = 0.1244. For 2, a = 5.9302（2）, b = 20.347（7）, c = 14.663（6） A, β= 90.200（9）°, V= 1769.201） A^3, Z = 4, Dc = 1.475 g/cm^3, F（000） = 816, μ = 0.254 mm^-1, the final R = 0.0533 and wR = 0.0819. As expected, both molecular structures of 1 and 2 adopt a trans configuration about the central C=N double bond. 2 is an ionic compound with the protonation at N（1） of pyridine-2-carboxaldehyde-4- aminoantipyrine.The Schiff base pyridine-2-carboxaldehyde-4-aminoantipyrine （CI7H16N4O 1） and its perchlorate （C17H17N4O·ClO4 2） have been prepared and characterized by elemental analysis, IR spectra and single-crystal X-ray crystallography analysis. Both 1 and 2 crystallize in the monoclinic system, space group P21/c. For 1, a = 8.6820（12）, b = 24.934（3）, c = 7.0064（10） A,, β= 97.942（3）°, V = 1502.2（4） A^3, Z = 4, Dc = 1.293 g/cm^3, F（000） = 616,μ = 0.084 mm^-1, the final R = 0.0592 and wR = 0.1244. For 2, a = 5.9302（2）, b = 20.347（7）, c = 14.663（6） A, β= 90.200（9）°, V= 1769.201） A^3, Z = 4, Dc = 1.475 g/cm^3, F（000） = 816, μ = 0.254 mm^-1, the final R = 0.0533 and wR = 0.0819. As expected, both molecular structures of 1 and 2 adopt a trans configuration about the central C=N double bond. 2 is an ionic compound with the protonation at N（1） of pyridine-2-carboxaldehyde-4- aminoantipyrine.

关 键 词：crystal structure 4-AMINOANTIPYRINE pyridine-2-carboxaldehyde Schiff base 

分 类 号：O626.41[理学—有机化学]