Acta Crystallographica Section C

Volume 65, Part 7 (July 2009)

metal-organic compounds

 

Two 18e Ti^{IV 5}-Cp-tris(sec-amido)-type complexes derived from 1H-imidazol-2-yl side-chain functionalized cyclopentadienes

X. Wang, W. Nie, F. Ge and M. V. Borzov

Abstract: Achiral {2-[2-(⁵-cyclopentadienyl)-2-methylpropyl]-1H-imidazolyl-N¹}bis(N,N-diethylamido-N)titanium(IV), [Ti(C₄H₁₀N)₂(C₁₂H₁₄N₂)], (I), and closely related racemic (SR)-{2-[(⁵-cyclopentadienyl)(phenyl)methyl]-1H-imidazolyl-N¹}bis(N,N-diethylamido-N)titanium(IV), [Ti(C₄H₁₀N)₂(C₁₅H₁₂N₂)], (II), have been prepared by direct reactions of Ti(NEt₂)₄ and the corresponding 1H-imidazol-2-yl side-chain functionalized cyclopentadienes. In compound (II), there are two crystallographically independent molecules of very similar geometries connected by a noncrystallographic pseudosymmetry operation akin to a 2₁ screw axis. All Ti-ligating N atoms in both (I) and (II) are in planar environments, which is indicative of an additional NTi p-d donation. This fact and the 18e nature of both (I) and (II) are additionally supported by quantum chemical single-point density functional theory (DFT) computations.

Formula: [Ti(C₄H₁₀N)₂(C₁₂H₁₄N₂)] and [Ti(C₄H₁₀N)₂(C₁₅H₁₂N₂)]

	Structure factor file (CIF format) (206.5 kbytes) [ doi:10.1107/S010827010902112X/bg3099Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (399.0 kbytes) [ doi:10.1107/S010827010902112X/bg3099IIsup3.hkl ] Contains datablock II

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