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Crystal structure of a rare trigonal bipyramidal titanium(IV) coordination complex: tri-chlorido-(3,3'-di-tert-butyl-2'-hy-droxy-5,5',6,6'-tetra-methyl-1,1'-biphenyl-2-olato-?O2)(tetra-hydro-furan-?O)-titanium(IV).

ABSTRACT: The title compound, [Ti(C24H33O2)Cl3(C4H8O)], is a rare example of a trigonal-bipyramidal titanium coordination complex with three chloride and two oxygen donor ligands. The asymmetric unit contains two independent mol-ecules having essentially the same conformation. The mol-ecules feature the titanium(IV) metal cation complexed with three chloride ligands, a tetra-hydro-furan mol-ecule, and one oxygen atom from the resolved ligand precursor (R)-(+)-5,5',6,6'-tetra-methyl-3,3'-di-t-butyl-1,1'-biphenyl-2,2'-diol, where the remaining phenolic hydrogen atom engages in inter-molecular O-H?Cl hydrogen bonding. In one mol-ecule, the THF ligand is disordered over two orientations with refined site occupancies of 0.50?(3).

SUBMITTER: Kim YY 

PROVIDER: S-EPMC5209780 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature

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Crystal structure of a rare trigonal bipyramidal titanium(IV) coordination complex: tri-chlorido-(3,3'-di-<i>tert</i>-butyl-2'-hy-droxy-5,5',6,6'-tetra-methyl-1,1'-biphenyl-2-olato-κ<i>O</i><sup>2</sup>)(tetra-hydro-furan-κ<i>O</i>)-titanium(IV).

Kim Yun Young YY   Tanski Joseph M JM  

Acta crystallographica. Section E, Crystallographic communications 20170101 Pt 1

The title compound, [Ti(C<sub>24</sub>H<sub>33</sub>O<sub>2</sub>)Cl<sub>3</sub>(C<sub>4</sub>H<sub>8</sub>O)], is a rare example of a trigonal-bipyramidal titanium coordination complex with three chloride and two oxygen donor ligands. The asymmetric unit contains two independent mol-ecules having essentially the same conformation. The mol-ecules feature the titanium(IV) metal cation complexed with three chloride ligands, a tetra-hydro-furan mol-ecule, and one oxygen atom from the resolved ligan  ...[more]

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