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Bis(catecholato-κ2 O,O')bis-(dimethyl sulfoxide-κO)titanium(IV).

ABSTRACT: Bis(benzene-1,2-diolato-κ2 O,O')bis-(dimethyl sulfoxide-κO)titanium(IV), [Ti(C6H4O2)2(C2H6OS)2], crystallizes with two crystallographically independent mol-ecules in the space group P21/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 2H 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 TiO6 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.

SUBMITTER: Hewage N 

PROVIDER: S-EPMC8983984 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature

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Bis(catecholato-κ<sup>2</sup> <i>O</i>,<i>O</i>')bis-(dimethyl sulfoxide-κ<i>O</i>)titanium(IV).

Hewage Nisansala N   Mastriano Carolyn C   Brückner Christian C   Zeller Matthias M  

Acta crystallographica. Section E, Crystallographic communications 20220315 Pt 4

Bis(benzene-1,2-diolato-κ<sup>2</sup> <i>O</i>,<i>O</i>')bis-(dimethyl sulfoxide-κ<i>O</i>)titanium(IV), [Ti(C<sub>6</sub>H<sub>4</sub>O<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>H<sub>6</sub>OS)<sub>2</sub>], crystallizes with two crystallographically independent mol-ecules in the space group <i>P</i>2<sub>1</sub>/<i>c</i> emulating ortho-rhom-bic <i>Pbca</i> symmetry (β = 90.0445 (9)°]. The two mol-ecules are related by pseudo-glide symmetry, broken by modulation of each one catecholate and dimeth  ...[more]

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