Acta Crystallographica Section C

Volume 65, Part 11 (November 2009)

metal-organic compounds

 

Titanium complexes with sulfur-linked bis(phenolate) ligands

T. S. Dols, T. P. Spaniol and J. Okuda

Abstract: High-quality crystals of two bis(phenolate)titanium complexes, namely dichlorido{4,4'-dimethyl-2,2'-[cyclohexane-1,2-diylbis(sulfanediyl)]diphenolato}titanium(IV), [Ti(C₂₀H₂₂O₂S₂)Cl₂], (I), and dichlorido{2,2'-[cyclohexane-1,2-diylbis(sulfanediyl)]diphenolato}titanium(IV), [Ti(C₁₈H₁₈O₂S₂)Cl₂], (II), were obtained by reactive crystallization. Depending on the solvent, compound (II) was obtained as unsolvated (IIa) or as the toluene hemisolvate, [Ti(C₁₈H₁₈O₂S₂)Cl₂]·0.5C₇H₈, (IIb). These systems without bulky substituents on the aromatic phenolate rings serve as ideal model compounds for precatalysts. The excellent X-ray diffraction data will help clarify the nature of the mismatched interactions between the soft S atoms within the ligand and the hard titanium center. Molecule (I) has crystallographic C₂ symmetry.

Formula: [Ti(C₂₀H₂₂O₂S₂)Cl₂], [Ti(C₁₈H₁₈O₂S₂)Cl₂] and [Ti(C₁₈H₁₈O₂S₂)Cl₂]·0.5C₇H₈

	Structure factor file (CIF format) (486.2 kbytes) [ doi:10.1107/S0108270109042280/sk3350Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (1349.0 kbytes) [ doi:10.1107/S0108270109042280/sk3350IIasup3.hkl ] Contains datablock IIa
	Structure factor file (CIF format) (1002.0 kbytes) [ doi:10.1107/S0108270109042280/sk3350IIbsup4.hkl ] Contains datablock IIb

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