| 3-乙酰基-8苯基辛三烯-3,5,7-酮-2的晶体结构 |
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| 引用本文： | 白春礼,胡惟孝. 3-乙酰基-8苯基辛三烯-3,5,7-酮-2的晶体结构[J]. 结构化学, 1983, 0(2) |
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| 作者姓名： | 白春礼 胡惟孝 |
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| 作者单位： | 中国科学院化学研究所(白春礼)，中国科学院化学研究所(胡惟孝) |
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| 摘 要： | 对标题化合物进行了X-射线分析。C_(16)H_(16)O_2属三斜晶系,P1空间群,a=12.720(3),b=12.117(3),c=9.625(3),a=80.60(2)°,β=89.16(2)°,Υ=75.30(2)°,Z=4。共对2530个I≥2σ(I)、的反射数据进行了计算。由于该化合物烯基平面与反式乙酰基平面的二面角小于与顺式乙酰基平面的二面角,因此前者比后者能更有效地参予分子骨架的共轭,从而解释了在此类三岔共轭体系的电子吸收光谱中,一岔起代基的作用,一岔起端基作用的现象。
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The Crystal Structure of 3-Acetyl-8-Phenyl -3,-5, 7-Octatrienone-2 |
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| Abstract: | An X-ray analysis of the title compound has been undertaken.C16H16O2 is triclinic, P1, with a=12.720(3), b=12.117(3), c= 9.625(3)A, α=80.60(2)°, β=89.16(2)°, γ =75;30(2)°, Z=4. A total of 2530 reflections with I≥2σ(I) is included in the calculation, As the dihedral angle between the ethylenic plane and the trans-acetyle plane is smaller than that between the ethylenic plane and the cis-one, the former can conjugate more efficiently with the skeleton of the molecule than the latter. We are thus able to lead to the explanation that in the electronic absorption spectrum of this kind of three-forked conjugative system, one branch acts as the substitute group while the other one acts as the terminal group. |
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