（E）-1-二茂铁基-3-苯基-2-丙烯-1-酮
(E)-1-Ferrocenyl-3-phenyl-prop-2-en-1-one.
作者信息
Liu Yong-Hong, Liu Jian-Feng, Jian Pan-Ming, Liu Xiao-Lan
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 5;64(Pt 8):m1001-2. doi: 10.1107/S1600536808020059.
The title compound, [Fe(C(5)H(5))(C(14)H(11)O)], exists as the E isomer, and the substituent is fully conjugated with the attached five-membered ring. In the ferrocene unit, the substituted cyclo-penta-dienyl ring (Cps) plane and unsubstituted cyclo-penta-dienyl ring (Cp) plane are almost parallel, and the C atoms in Cp and Cps are in an eclipsed conformation. In the crystal structure, mol-ecules are linked into C(5) chains via inter-molecular C-H⋯O hydrogen bonds, and neighbouring chains are assembled into sheets by inter-molecular C-H⋯π(arene) hydrogen bonds along the c axis.
标题化合物[Fe(C₅H₅)(C₁₄H₁₁O)]以E异构体形式存在，且取代基与相连的五元环完全共轭。在二茂铁单元中，取代的环戊二烯基环（Cps）平面和未取代的环戊二烯基环（Cp）平面几乎平行，且Cp和Cps中的C原子处于重叠构象。在晶体结构中，分子通过分子间C—H⋯O氢键连接成C(5)链，相邻的链通过沿c轴的分子间C—H⋯π(芳烃)氢键组装成片层。
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