【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，P
【机 构】
：
浙江工业大学制药工程研究所!浙江杭州,310014,浙江工业大学制药工程研究所!浙江杭州,310014 ,浙江工业大学制药工程研究所!浙江杭州,310014 ,浙江工业大学制药工程研究所!浙江
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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。
O-tolylisocyanate with 3,6-dimethyl-1,6-dihydro-S-tetrazine in the presence of the catalyst 4-dimethylaminopyridine to give the title compound (C20H22N6O2, Mr = 378.43) . The X-ray single crystal structure analysis shows that the crystal belongs to the monoclinic system with P21 / c space group a = 11.151 (4), b = 15.318 (2), c = 11.352 ) °, V = 1882.7? 3, Z = 4, μ = 0.093 mm-1, Dc = 1.413 g / cm3, F (000) = 800. The results show that the two amido groups of the compound are in the 1,4-position of the S-tetrazine ring and the tetrazine ring itself is in a boat conformation.
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