| 2—肉桂酰噻吩的晶体结构 |
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| 引用本文： | 胡惟孝,余兆楼. 2—肉桂酰噻吩的晶体结构[J]. 结构化学, 1988, 0(4) |
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| 作者姓名： | 胡惟孝 余兆楼 |
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| 作者单位： | 浙江工学院化工系(胡惟孝)，中国科学院化学研究所(余兆楼) |
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| 摘 要： | 标题化合物进行了X—射线分析。该化合物晶体属正交晶系,Pbcm空间群,a=10.984(3),b=11.808(3),c=17.224(4)A,Z=8。1035个Ⅰ≥2σ(Ⅰ)的反射数据用于结构确定和修正,最终R=0.059。噻吩基平面与羰基平面的二面角略小于苯乙烯基平面与羰基平面的二面角,表明噻吩基与羰基的共轭倾向比苯乙烯基与羰基的略强,或者近乎相当。这一结果支持了噻吩基的端基当量为3的观点。
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The Crystal Structure of 2-Ginnamoyl Thiophene |
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| Abstract: | An X-ray analysis of the title compound has been undertaken, C13-H10OS is orthorhombic, space group Pbcn with a=10.984(3 ), b=11.808(3), c = 17.224(4)A,Z= 8, and R= 0.059 for 1035 reflections with I≥2σ(I). As the dihedral angle between the thiophene plane and carbonyl plane is a bit smaller than that between the phenylenic plane and caybonyl plane, the thiophene group can conjugate a little more efficiently with the carbonyl than the phen ylenic group, or their actions are almost the same. It indicates that it is, rea sonable that the equivalent of the terminal group, for thiophen is assigned to 3. |
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