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| 2-氨基-3-氰基-7,7-二甲基-4-苯基-5-氧代-5,6,7,8-四氢-4H-苯并吡喃的合成和晶体结构 | |
| 引用本文： | 高原,崔桂友,郭照冰. 2-氨基-3-氰基-7,7-二甲基-4-苯基-5-氧代-5,6,7,8-四氢-4H-苯并吡喃的合成和晶体结构[J]. 结构化学, 2001, 20(6) |
| 作者姓名： | 高原 崔桂友 郭照冰 |
| 作者单位： | 1. 深圳大学化学系, 2. 扬州大学旅游烹饪学院, 3. 中国矿业大学化学系, |
| 摘 要： | 标题化合物C18H18N2O2是由亚苄基丙二睛和5,5-二甲基-1,3-环己酮在乙二醇中反应2小时得到,结构通过单晶X-射线衍射法确定,其晶体属单斜晶系,空间群P21/c,Mr=294.34,a = 11.3070(1), b= 9.4750(1),c = 14.919(2) ,β= 99.34(1)埃琕 = 1577.1(3) 3,Z = 4,Dc=1.240Mgm-3,μ=0.082mm-1,F(000)=624, 最终的偏离因子为R=0.0381,wR=0.0961,在分子结构中存在3个环:苯环(A)、吡喃环(B)及与吡喃环稠合的六员环(C)。A与B、A与C及B与C之间的两面角分别为 92.5°、85.7°和8.2°。 |
| 关 键 词： | 苯并吡喃 合成 晶体结构 |
The Synthesis and Crystal Structure of 2-Amino-7,7-dimethyl-4-phenyl-5-oxo-5,6,7,8 -tetrahydro-4-H-chromene-3-carbonitrile |
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| GAO Yuan CUI Gui-You GUO Zhao-Bing. The Synthesis and Crystal Structure of 2-Amino-7,7-dimethyl-4-phenyl-5-oxo-5,6,7,8 -tetrahydro-4-H-chromene-3-carbonitrile[J]. Chinese Journal of Structural Chemistry, 2001, 20(6) | |
| Authors: | GAO Yuan CUI Gui-You GUO Zhao-Bing |
| Abstract: | The title compound (C18H18N2O2) has been synthesized by the reaction of phenlyedene malnonitrile with 5,5-dimethyl-1, 3-cyclohexanedione in ethylene glycol at 80℃ for 2h and its structure was determined by single-crystal X-ray diffraction. The crystal is monoclinic, space group P21/c,Mr=294.34,a =11.3070(1), b=9.4750(1), c=14.919(2)牛?99.340(1)°, V=1577.1(3)?,Z=4,Dc=1.240Mgm-3,μ=0.082mm-1,F(000)=624.The structure was solved by direct methods and refined by full-matrix least-squares method to the final R=0.0381, wR=0.0961. X-ray analysis reveals that the dihedral angles between rings A (benzyl) and B (pyran) B and C (six member), and A and C are 92.5, 8.2 and 85.7°, respectively. |
| Keywords: | benzo-[b]-pyran crystal structure synthesis |
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