X-ray and DFT-calculated structures of a vanadyl Schiff base complex: (methanol-κO)[2-methoxy-6-({2-[(2-oxido-3-methoxybenzylidene)amino]benzyl}iminomethyl)phenolato-κ4O1,N,N,O1']oxidovanadium(IV) monohydrate.

The central V(V) atom in the title mononuclear oxovanadium complex, [VO(C(23)H(20)N(2)O(4))(CH(3)OH)]·H(2)O, has a distorted octahedral coordination. Two N atoms and two O atoms of the Schiff base define the base of the bipyramid and two O atoms are in the apical positions, one from vanadyl and the second from methanol. Density functional theory (DFT) calculations were performed for the title complex and its ligand to compare their geometry in the solid and gas phases.

A vanadyl Schiff base complex: {2,2'-[1,1'-(o-phenylenedinitrilo)bis(ethan-1-yl-1-ylidene)]diphenolato}oxovanadium(IV).

The green crystals of the title compound, [V(C(22)H(18)N(2)O(2))O], represent a mononuclear oxovanadium complex. The central V(IV) centre has a distorted square-pyramidal coordination. Two N atoms and two O atoms of the Schiff base ligand define the base of the pyramid, and the oxide O atom is in the apical position.