A series of group 4 metal complexes containing [6-isopropyl-3-methyl-2-(4-R-4,5-dihydrooxazol-2-yl)phenol] ligands, N,O-(Oz R ϪO Ph ) [Oz R ϭ oxazolyl; R ϭ iPr (4), tBu (5); O Ph ϭ phenolate] was prepared. The reaction of the lithium salts of compounds 4 and 5 with MCl 4 , (M ϭ Ti, Zr, Hf) in 2:1 ratio afforded the corresponding hexacoordinate metal complexes of the types [{N,O-(Oz iPr ϪO Ph )} 2 MCl 2 ] [M ϭ Ti (6), Zr (7), Hf (8)] and [{N,O-(Oz tBu ϪO Ph )} 2 MCl 2 ] [M ϭ Ti (9), Zr (10), Hf (11)], respectively.
The title compound, C(38)H(48)NOP, isolated from the reaction of (2-diphenylphosphanyl-4,6-di-tert-butyl)phenol with 2,6-diisopropylphenyl azide at 273 K, can act as an N,O-bidentate ligand. Crystal structure analysis shows a deviation from ideal tetrahedral symmetry around the P atom. The molecule exists as a monomer in the solid state, whose conformation is stabilized via multiple intramolecular hydrogen bonds. Geometric parameters from both experimental and theoretical calculations are compared.
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