| 2,6-二甲基-4-苯基-1,4-二氢吡啶-3,5-二甲酸乙酯的合成和晶体结构 |
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| 引用本文： | 屠树江,冯建青,王海,唐爱玲,冯骏材.2,6-二甲基-4-苯基-1,4-二氢吡啶-3,5-二甲酸乙酯的合成和晶体结构[J].结构化学,2001,20(2):131-133. |
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| 作者姓名： | 屠树江 冯建青 王海 唐爱玲 冯骏材 |
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| 作者单位： | 南京大学化学系, |
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| 摘 要： | 标题化合物C1 9H2 3NO4由苯甲醛、尿素、乙酰乙酸乙酯在微波辐射下干反应而得。结构通过单晶X 射线衍射法测定 ,其晶体属单斜晶系 ,空间群P2 1 /c ,a =9.745(2 ) ,b =7.388(2 ) ,c =2 4 .354(5) ,β =92 .60 (3)°,V =1 751 .6(6) 3,Z =4,Mr=32 9.38,Dc=1 2 4 9g/cm3,μ(MoKα) =0 .0 87mm- 1 ,F(0 0 0 ) =70 4。晶体结构用直接法解出 ,经全矩阵最小二乘法对原子参数进行修正 ,最终的偏离因子为R =0 .0 4 1 6,wR =0 .1 1 75。在晶体结构中 ,二氢吡啶环与苯环之间的二面角为 92 .1 4°。
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| 关 键 词： | 1 4-二氢吡啶 合成 微波 晶体结构 |
Synthesis and Crystal Structure of Diethyl 4-phenyl-2,6-dimethyl-1,4- dihydropyridine-3,5-dicarboxylate |
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| TU Shu-Jiang\ FENG Jian-Qing\ WANG Hai\ TANG Ai-Ling\ FENG Jun-Cai\,\$.Synthesis and Crystal Structure of Diethyl 4-phenyl-2,6-dimethyl-1,4- dihydropyridine-3,5-dicarboxylate[J].Chinese Journal of Structural Chemistry,2001,20(2):131-133. |
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| Authors: | TU Shu-Jiang\ FENG Jian-Qing\ WANG Hai\ TANG Ai-Ling\ FENG Jun-Cai\ \$ |
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| Institution: | TU Shu-Jiang\ FENG Jian-Qing\ WANG Hai\ TANG Ai-Ling\ FENG Jun-Cai\+* \$ |
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| Abstract: | The title compound (C19H23NO4) has been synthesized by thereaction of benzaldehyde, ethyl acetoa～cetate and urea under microwave irradiation without solvent and its structure was determined by single crystal～ X-ray diffraction. The crystal is monoclinic, space group P21/c with a=9.745(2), b=7.388(2), c = 24.394(5) Å, β=92.60(3)°, V = 1751.6(6) Å3, Z = 4, Mr = 329.38, Dc = 1.249 Mg/m3, μ(MoKα)=0.087cm-1, F(000)=704. The structure was solved by direct methods and refined by full-matrix least squares method to the final R=0.0416, wR=0.1175, X-ray analysis reveals that the dihedral～ angle between plane 1(C(11)～C(15),N) and plane 2(C(21)～C(26)) is 92.14°. |
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| Keywords: | dihydropyridine synthesis microwave crystal structure |
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