Crystal and molecular structure of chloro-π-cyclopentadienylbis-8-quinolinolatotitanium(IV)

Abstract

The crystal and molecular structure of chloro-π-cyclopentadienylbis-8-quinolinolatotitanium(IV), [TiCl(π-C₅H₅)-(C₉H₆NO)₂], has been determined from three-dimensional X-ray diffraction data. The unit cell is monoclinic with a= 8·82, b= 13·85, c= 16·80 Å, β= 111·7°, and space group p2₁/c. The structure was solved by Patterson and Fourier methods from 2402 independent visually estimated intensities and refined by least-squares to R 0·098. The structure consists of monomeric units with molecular geometry best described as dodecahedral but with certain similarities to a distorted octahedron. The oxygen atoms lie in a trans-configuration, with respect to the octahedron, at 1·987 and 1·954 Å from the titanium, the nitrogen atoms cis at 2·224 and 2·270 Å, and the chlorine atom at 2·372 Å. The long Ti–Cl distance and the differences between the Ti–O and Ti–N distances are discussed and compared with the corresponding distances in related compounds.