Kim Yun Young, Tanski Joseph M
Department of Chemistry, Vassar College, Poughkeepsie, NY 12604, USA.
Acta Crystallogr E Crystallogr Commun. 2017 Jan 1;73(Pt 1):88-91. doi: 10.1107/S2056989016020156.
The title compound, [Ti(CHO)Cl(CHO)], 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 ()-(+)-5,5',6,6'-tetra-methyl-3,3'-di--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).
标题化合物[Ti(CHO)Cl(CHO)]是一种罕见的三角双锥型钛配位络合物,含有三个氯和两个氧供体配体。不对称单元包含两个构象基本相同的独立分子。这些分子的特征是钛(IV)金属阳离子与三个氯配体、一个四氢呋喃分子以及来自拆分的配体前体()- (+)-5,5',6,6'-四甲基-3,3'-二叔丁基-1,1'-联苯-2,2'-二醇的一个氧原子络合,其中剩余的酚羟基氢原子参与分子间O-H⋯Cl氢键作用。在一个分子中,四氢呋喃配体在两个取向上无序,精修后的位点占有率为0.50 (3)。