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

Crystal Structures of Schiff Base from 4-Aminoantipyrine and Pyridine-2-carboxaldehyde and Its Perchlorate
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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.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 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
关键词 crystal structure 4-AMINOANTIPYRINE pyridine-2-carboxaldehyde Schiff base crystal structure 4-aminoantipyrine pyridine-2-carboxaldehyde Schiff base
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