REACTION OF ORTHO-FLUOROLITHIOBENZENE WITH DICARBONYL(ETA-5-CYCLOPENTADIENYL)IODOIRON - SINGLE-CRYSTAL X-RAY STRUCTURE OF [(ETA-5-C5H5)FE(CO)(C6H4-2-C(O)-C6H4-2'-C6H4-2''-F)]-ETA6-CR(CO)3, A METALATED BENZOPHENONE

The reaction of 3 molar equiv of o-fluorolithiobenzene with dicarbonyl();5-cyclopentadienyl)iodoiron results in an intramolecular cyclization to give the metallacyclic product [(j?5-C5H5)Fe(CO)(C6H4-2-C-(0)-C6H4-2’-C6H4-2”-F)]. Characterization was made by derivatization with tris(acetonitrile)tri-carbonylchromium to give [(í75-C5H5)Fe(CO)(C6H4-2-C(0)-C6H4-2 -C6H4-2 -F)]-776-Cr(CO)3 (3a). Compound 3a crystallizes in the monoclinic space group P2x/c with lattice parameters α = 7.1633 (18) Â, b = 13.669 (6) Â, c = 24.116 (3) Â, β = 95.763 (3)°, V = 2349.33 (12) Â3, p(calc) = 1.584 g cm3, and Z = 4. Least-squares refinement gave a final Rp value of 0.065 for 1864 (/ > 2.5σ(Γ}) of 3071 unique reflections (/?w= 0.036, GOF= 2.08). © 1990, American Chemical Society. All rights reserved.