Bis(catecholato-κ(2) O,O')bis-(dimethyl sulfoxide-κO)titanium(IV).

Bis(benzene-1,2-diolato-κ(2) O,O')bis-(dimethyl sulfoxide-κO)titanium(IV), [Ti(C(6)H(4)O(2))(2)(C(2)H(6)OS)(2)], crystallizes with two crystallographically independent mol-ecules in the space group P2(1)/c emulating ortho-rhom-bic Pbca symmetry (β = 90.0445†(9)°]. The two mol-ecules are related by pseudo-glide symmetry, broken by modulation of each one catecholate and dimethyl sulfoxide (DMSO) ligand. Twinning by pseudomerohedry was observed [twin ratio 0.5499†(7):0.4401†(7)]. Complex 3 was obtained by heating of diprotonated titanium tris-catecholate precursor 2(H) in DMSO, by formal displacement of a catechol mol-ecule by two DMSO mol-ecules. Complex 3 is just the second heteroleptic, mono-nuclear, neutral bis-catecholate complex with TiO(6) metal coordination, the only other one being its bis-DMF analogue 6. The two mol-ecules of 3 exhibit a distorted octa-hedral geometry. The geometry and distortions from ideal symmetry of 3 are discussed and compared to 6 and to cationic tris-catecholate titanium complexes.