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Synthesis and Crystal Structure of(E)-Ethyl 2-(4-(2,4-dimethoxybenzylideneamino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-ylthio)acetate
作者姓名:YOU  Wen-Wei ZHAO  Pei-Liang DUAN  An-Na WU  Shu-Guang
作者单位:Department of Chemistry, College of Pharmaceutical Sciences, Southern Medical University, Guangzhou 510515, China
基金项目:supported by the Science Foundation of the Southern Medical University for New Excellent Talents (No. B1000374); the Natural Science Foundation of Guangdong Province(No.10451051501004725)
摘    要:The crystal structure of the title compound(E)-ethyl 2-(4-(2,4-dimethoxy benzylide-neamino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-ylthio)acetate(4,C24H28N4O7S,Mr = 516.17) was synthesized and determined by X-ray single-crystal diffraction.The crystal belongs to the monoclinic system,space group P21/n with a = 13.162(2),b = 8.4506(13),c = 22.602(4) ,β = 99.888(3)°,μ = 0.183 mm-1,V = 2476.5(7)3,Z = 4,Dc = 1.385 g/cm3,F(000) =1088,T = 110(2) K,R = 0.0426 and wR = 0.1216 for 3859 observed reflections with I > 2σ(Ⅰ).

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Synthesis and Crystal Structure of (E)-Ethyl 2-(4-(2,4-dimethoxybenzylideneamino)-5- (3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-ylthio)acetate
YOU,Wen-Wei ZHAO,Pei-Liang DUAN,An-Na WU,Shu-Guang.Synthesis and Crystal Structure of (E)-Ethyl 2-(4-(2,4-dimethoxybenzylideneamino)-5- (3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-ylthio)acetate[J].Chinese Journal of Structural Chemistry,2011,30(4):600-603.
Authors:YOU Wen-Wei  ZHAO Pei-Liang  DUAN An-Na  WU Shu-Guang
Abstract:The crystal structure of the title compound (E)-ethyl 2-(4-(2,4-dimethoxy benzylide- neamino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-ylthio)acetate (4, C<,24>H<,28>N<,4>O<,7>S, Mr= 516.17) was synthesized and determined by X-ray single-crystal diffraction.The crystal belongs to the monoclinic system, space group P2<,1>/n with a = 13.162(2), b = 8.4506(13), c = 22.602(4) (A), β= 99.888(3)°,μ=0.183 mm<'-1>, V= 2476.5(7) (A)<'3>, Z=4, D<,c> = 1.385 g/cm<'3>, F(000) =1088, T= 110(2) K, R = 0.0426 and wR = 0.1216 for 3859 observed reflections with I> 2σ(I).
Keywords:synthesis  crystal structure  (Z)-methyi 3-methoxy-2-{2-[(4-(E-3-p-tolylaeryloyl)-phenoxy) methyllphenyi}acrylate
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