A Structural Investigation of the D2O Solvated, Acetone Solvated and Nonsolvated 1,4-Diazabicyclo[2.2.2]octane Complexes of the Half Sandwich Moiety [(eta(5)-C5H5)(CO)(2)Fe]

作者：M'thiruaine Cyprian M; Friedrich Holger B; Omondi Bernard^*; Changamu Evans O

来源：South African Journal of Chemistry, 2013, 66: 237-243.

• Cyclopentadienyliron dicarbonyl complex
• 1,4-diazabicyclo[2.2.2]octane (DABCO)
• X-ray crystallography

Two new solvates of the dinuclear salt {(eta(5)-C5H5)(CO)(2)Fe}(2) (mu-DABCO)](BF4)(2) (DABCO = 1,4-diazabicyclo[2.2.2]octane); 1 (D2O solvate) and 2 (acetone solvate), and the mononuclear salt [(eta(5)-C5H5)(CO)(2)Fe(DABCO)]BF4, 3, have been synthesized and structurally characterized. The D2O solvate, 1 forms crystals in the triclinic space group P (1) over bar, the acetone solvate forms crystals in the monoclinic P2(1)/c space group, while the unsolvated mononuclear salt, 3, forms crystals in the orthorhombic P2(1)2(1)2(1) space group. The respective unit cell parameters are: Compound 1, a = 7.66300(10) angstrom, b = 12.3133(2) angstrom, c = 13.9629(2) angstrom, alpha = 69.179(1)degrees, beta = 77.114(1)degrees and gamma = 84.282(1)degrees; Compound 2, a = 17.3633(3) angstrom, b = 14.1688(3) angstrom, c = 11.3542(2) angstrom, beta = 99.344(1)degrees; Compound 3, a = 8.9936(2) angstrom, b= 10.8949(3) angstrom, c= 15.3417(4) angstrom. The DABCO ligand adopts a twisted conformation with N-C-C-N torsion angles ranging between -21.05(12) to -19.31(12)degrees and 15.3(2) -15.7)degrees in 1 and 2, respectively, whereas in 3, the CH2 groups of each NCH2CH2N moiety are almost eclipsed, the torsion angles ranging from -2.89(18) to -1.50(16)degrees.

• 出版日期2013