INTERACTION BETWEEN TICL4 AND ORTHO-DIESTERS, META-DIESTERS AND PARA-DIESTERS - THE CRYSTAL-STRUCTURES OF [ORTHO-C6H4(COO-I-BU)2TICL4].CH2CL2 AND [PARA-C6H4(COOME)2TICL4]

The crystal structures of [o-C6H4(COO-i-Bu)2TiCl4] · CH2Cl2, I, and [(μ-Cl)2{μ-p-C6H4(COOMe)2}Cl6Ti2]∞, II, which in the presence of activators are good catalysts for olefin polymerization, have been determined by X-ray diffraction methods and the data refined by full-matrix least-squares techniques to R = 0.049 and R = 0.028 for 1511 and 1549 independent non-zero reflections for I and II, respectively. Crystals of I are orthorhombic, space group P212121 with 4 molecules in a unit cell of dimensions a = 14.408(6), b = 13.717(7), c = 12.486(5) Å. Crystals of II are monoclinic, space group P21/n, with four molecules in cell with a = 8.474(5), b = 13.130(7), c = 9.362(7) Å and β = 109.12(5)°. The Ti atoms in I are octahedrally coordinated by four chlorine atoms and two carbonyl oxygen atoms of di-iso-butyl o-phthalate. The chelating ligand atoms and the titanium atom together form a seven-membered ring. Compound II in crystalline state is a linear polymer formed by the dimeric units Cl3Ti(μ-Cl)2TiCl3 connected together by two carbonyl oxygen atoms of p-C6H4(COOMe)2. © 1990.