Crystal and molecular structure of dichlorotetrakis(propanol-2) titanium (III) chloride,C12H32Cl3O4Ti

The crystal and molecular structure of dichlorotetrakis(propanol-2)titanium (III) chloride, C₁₂H₃₂Cl₃O₄Ti, has been determined by X-ray methods. The complex crystallizes in the monoclinic system:a = 15.968(4),b = 11.610(5),c = 11.90(5) Å, = 94.15(2) °, space groupC2/c andZ = 4. The positions of all non-hydrogen atoms have been refined by least squares to giveR = 0.126 for 1211 observed structure factors. The crystal structure consists of {TiCl₂(HOCH(CH₃)₂)₄}⁺ cations and Cl^– anions. From the space-group symmetry, it follows that the complex cation has 2(C ₂) symmetry. The 2 chlorine and 4 oxygen atoms of the inner coordination sphere are arranged in the form of a distorted octahedron around the central Ti atom. Two chlorine atoms, with the interatomic distance Ti—Cl of 2.32 Å, are in acis-conformation. The interatomic distances Ti—O, two oxygen atoms opposite to the chlorine atoms, are 2.10 Å. The pair oftrans-oriented oxygen atoms are at distances Ti—O= 2.09 Å. The Cl^– ions occupy positions at symmetry centres. Each of them is in contact with four oxygen atoms, the paired Cl—O distances being 3.04 Å and 3.12 Å.