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在氢化钠存在下,用乙酰基二茂铁与正辛酸乙酯进行缩合反应,合成了标题化合物FeCOCH_2COC_7H_(15)(Fc=C_5H_5FeC_5H_4).X射线衍射测定其晶体学数据为:C_(20)H_(26)FeO_2,空间群P2_1/n,a=0.5790(1)nm,b=4.1634(4)nm,c=0.7635(1)nm,β=101.39(1)°,Z=4.最终的偏离因子R=0.050.结构分析表明,该化合物分子以烯醇式形式存在,通过分子内氢键,形成六元环,环中O…H氢键距离为0.146nm.β-二羰基中与正庚基相连接的羰基易于烯醇化。
The title compound FeCOCH_2COC_7H_ (15) (Fc = C_5H_5FeC_5H_4) was synthesized by the condensation reaction of acetyl ferrocene and ethyl n-octanoate in the presence of sodium hydride. The crystallographic data determined by X-ray diffraction are: C 20 H 26 FeO 2, space group P2_1 / n, a = 0.5790 (1) nm, b = 4.1634 (4) nm, c = 0. 7635 (1) nm, β = 101.39 (1) °, Z = 4. The final deviation factor R = 0.050. The structural analysis shows that the compound exists in enol form and forms a six - membered ring with intramolecular hydrogen bonding. The O · H hydrogen bond distance in the ring is 0.146 nm. The carbonyl group attached to the n-heptyl group in β-dicarbonyl is susceptible to enolase.