Abstract
The mol-ecular structure of the title compound, [Cu(C(12)H(13)N(2)O(3))(H(2)O)(2)]·[Cu(C(12)H(13)N(2)O(3))(H(2)O)], consists of two different mol-ecules in the asymmetric unit. Both of the structures consist of a tridentate ligand synthesized from l-valine and salicyl-aldehyde, and one water mol-ecule or two water mol-ecules coordinating to Cu(II). They have a square-planar (mol-ecule 1) or a square-pyramidal (mol-ecule 2) coordination geometry. In the crystal, the mol-ecules form intra- and inter-molecular O-H⋯O hydrogen bonds involving the coordinated water mol-ecules and other sites. A Hirshfeld surface analysis indicated that the most important contributions to the packing are from H⋯H [52.9% (mol-ecule 1) and 51.1% (mol-ecule 2)] and H⋯O/ O⋯H [21.2% (mol-ecule 1) and 25.8% (mol-ecule 2)] contacts. In addition, an electrostatic potential map was also obtained from DFT calculations to support the discussion of the inter-molecular inter-actions.