Structural characterization and DFT study of bis­{(S)-2-[(2-hy­droxy­benz­yl)amino]-3-(4-hy­droxy­phen­yl)propano­ato-κ(2) N,O}(1,10-phenanthroline-κ(2) N,N′)cadmium(II) tetra­hydrate

In the title compound, [Cd(C(16)H(16)O(3))(2)(C(12)H(8)N(2))]·4H(2)O, the Cd ion lies on a twofold rotation axis and is chelated by two monodeprotonated residues of the l-tyrosine-derived ligand (S)-2-[(2-hy­droxy­benz­yl)amino]-3-(4-hy­droxy­phen­yl)propanoic acid (L) in a κ(2) N,O amino acid chelating mode, exhibiting an (N,N′)-trans disposition, and by 1,10-phenanthroline in a κ(2) N,N′ mode. The latter ligand is also located about the twofold rotation axis that bisects the central six-members ring. The phenolic groups remain protonated and non-coordinating and take part as acceptors in the intra­molecular hydrogen bonds with the amino groups of the acido ligands. The Cd ion is six-coordinated in a distorted octa­hedral environment. In the crystal, O—H⋯O hydrogen bonds result in the formation of three-dimensional network structures. The title complex has also been characterized by IR and (1)H NMR spectroscopy and DFT studies. The crystal studied was refined as an inversion twin.