Abstract: The title compound, C₅H₅FeC₅H₄COCH₂COC₇H₁₅ was synthesized by Claisen condensation of acetylferrocene with ethyl octoate, and it was characterized by elementary analysis, UV-Vis, IR, 1H NMRand MSspectra, Its crystal and molecular structure was determined by X-ray diffraction. Compound C₂₀H₂₆FeO₂, M=354.26, belongs to monoclinic system with a space group P₂₁/n, a=0.5790(1) nm, b=4.1634(4)nm, c=0.7635(1) nm, β=101.39(1)°, V=1.8042(4)nm3, z=4.D=1.30 g/cm³, F(000)=752, μ=8.40 cm^-1.The final R=0.050 and Rw=0.059. The results of the structure analysis indicate that the β-diketone exists only in the enol form, and a six membered ring is formed through the intramolecular hydrogen bond.The hydrogen-bonded H Odistance is 0.146 nm.

Key words: Ferrocene, β-Diketone, Crystal and molecular structure