X-ray crystal structure of the TiCl 4 - p-ethylanisate adduct (TiCl 4 - O 3C 10H 12) 2

Abstract

The molecular and crystal structure of the title compound has been determined by X-ray diffraction. The structure was solved by Patterson and Fourier methods and refined by least-squares techniques to R 0.074 for 2021 independent reflections. Crystals are monoclinic, space group C2/c, with 8 TiCl 4−O 3C 10H 12 formula units in a unit cell of dimensions a  20.464(18), b  11.331(11), c  13.430(12) Å, β  104.35(11)°. The structure is built up from dimeric molecules (TiCl 4·O 3C 1OH 12) 2 which have double chlorine bridges between the two titanium atoms of the dimer. The titanium(IV) atom is octahedrally coordinated by five chlorine atoms and the carbonyl oxygen atom of the para-ethylanisate. Changes in the configurations and dimensions from that of the free acceptor and donor molecules are discussed.