Abstract
The crystal and molecular structure of bis( N-2- pyridinylcarbonyl-2-pyridinecarboximidato)copper( II) monohydrate, Cu(BPCA) 2·H 2O, has been determined from single crystal X-ray data. It crystallizes in the monoclinic space group P2 1/ c with four formula units in a cell of dimensions: a = 8.917(1), b = 8.932(1), c = 28.794(17) Å, β= 95.49(2)°.Least- squares refinement of 2754 reflections with I > 2.5σ( I) and 379 parameters gave a final R = 0.037 ( R w = 0.036). The structure consists of discrete neutral Cu(BPCA) 2 entities linked two by two through water molecules hydrogen bonded to ligand carbonyl groups. The coordination geometry around copper ions can approximately be described as orthorhombically distorted octahedral. EPR and ligand field spectroscopic results have been analyzed in terms of a static Jahn-Teller distortion, and bonding parameters have been derived from EPR hyperfine and superhyperfine structures in the spectra of copper(II)-doped Zn(BPCA) 2·H 2O powder samples and frozen solution.
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