(1R,2S,5R,8S,9R,10S)-8-甲基-4-氮杂-5-苯基-7-氧杂四环[8.2.1.O2,9.O4,8]十三-11-烯-3-酮的合成和晶体结构

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为确定内型降冰片烯酰亚胺与甲基格氏试剂反应所得加成产物的结构,合成了标题化合物(C18H19NO2).其结构通过单晶X-射线衍射分析确定,该晶体属正交晶系,空间群为P212121,a=6.293(1),b=14.342(3),c=16.357(3)A,V=1476.2(5)A3,Z=4,Dc=1.266 g/cm3,μ(MoKα)=0.082mm-1,F(000)=600.晶体结构用直接法解出,最终的偏离因子为R=0.0535,wR=0.988.由此晶体结构可确定加成产物为标题化合物,并由1H-NMR数据推测另一加成产物的结构.
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