Electronic structure of the nickel(II) complex of the Schiff base of (S)-N-(2-benzoylphenyl)-1benzylprolinamide and glycine

The experimental charge density of the NiII complex of the Schiff base of (S)-N-(2-benzoylphenyl)-1-benzylprolinamide and glycine was derived from high-resolution single-crystal X-ray diffraction data ((lambda)  =  0.5604  …) at low temperature (100  K) with synchrotron radiation at the beamline F1 using a CCD area detector. The central Ni atom is pseudo-square-planar coordinated by three N atoms [1.9414  (3), 1.8559  (3) and 1.8533  (3)  …] and by one O atom [1.8620  (4)  …]. The N(1) atom is 0.359  … above the plane defined by the atoms Ni(1), N(2) and N(3). The d-orbital population analysis reveals an oxidation state for the Ni atom of +2 with the configuration d^8 and a hole mainly in the dx2-y2 orbital, located in the plane of the four ligating atoms. The prochiral reaction centre was examined by topological analysis.