| N,N(-双(邻甲苯基)-3,6-二甲基-1,4-二氢-S-四嗪-1,4-二甲酰胺的晶体结构 |
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| 引用本文： | 胡惟孝,金志敏,蔡志彬,杨忠愚.N,N(-双(邻甲苯基)-3,6-二甲基-1,4-二氢-S-四嗪-1,4-二甲酰胺的晶体结构[J].结构化学,2001,20(3). |
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| 作者姓名： | 胡惟孝 金志敏 蔡志彬 杨忠愚 |
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| 作者单位： | 浙江工业大学制药工程研究所,浙江,杭州,310014 |
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| 基金项目： | 浙江省自然科学基金资助项目!( 200016 ) |
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| 摘 要： | 邻甲苯基异腈酸酯与3,6-二甲基-1,6-二氢-S-四嗪在催化剂4-二甲胺基吡啶存在下反应，生成标题化合物( C20H22N6O2, Mr = 378.43 )。经X-射线单晶结构分析表明此晶体属单斜晶系，P21/c空间群，a = 11.151(4)，b = 15.318(2)，c = 11.352(2)?，β=103.85(2)°，V = 1882.7? 3，Z = 4，μ= 0.093mm-1，Dc = 1.413g/cm3，F(000) = 800。结果表明，该化合物的两个酰胺基处于S-四嗪环的1,4位，而四嗪环本身呈船式构象。
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| 关 键 词： | 晶体结构 1 4-二氢-S-四嗪 |
Crystal Structure of N,N'-Di-o-tolyl-3,6-dimethyl-1,4- dihydro-S-tetrazine-1,4-dicarbonamide |
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| HU Wei-Xiao,JIN Zhi-Min,CAI Zhi-Bin,YANG Zhong-Yu.Crystal Structure of N,N''''-Di-o-tolyl-3,6-dimethyl-1,4- dihydro-S-tetrazine-1,4-dicarbonamide[J].Chinese Journal of Structural Chemistry,2001,20(3). |
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| Authors: | HU Wei-Xiao JIN Zhi-Min CAI Zhi-Bin YANG Zhong-Yu |
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| Institution: | HU Wei-Xiao* JIN Zhi-Min CAI Zhi-Bin YANG Zhong-Yu |
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| Abstract: | The title compound ( C20H22N6O2, Mr=378.43 ) has been synthesized by 4-N,N-dimethylaminopyridine catalyzed reaction between o-tolyl isocyanate and 3,6-dimethyl-1,6-dihydro-S-tetrazine. The title compound crystallizes in the monoclinic system with space group P21/c, a = 11.151(4), b = 15.318(2), c = 11.352(2) ?, β = 103.85(2)°, V = 1882.7?3, Z = 4, μ= 0.093mm-1, Dc = 1.413g/cm3, F(000) = 800. The final R is 0.0443 for 2404 reflections. The molecular structure shows that two amide groups locate at 1 and 4 positions, respectively, and the tetrazine ring itself shows a boat conformation. |
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| Keywords: | crystal structure 1 4-dihydro-S-tetrazine |
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