Abstract

In the title compound, [Cd(C16H16O3)2(C12H8N2)]·4H2O, 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-hy-droxy-benz-yl)amino]-3-(4-hy-droxy-phen-yl)propanoic acid (L) in a κ2N,O amino acid chelating mode, exhibiting an (N,N')-trans disposition, and by 1,10-phenanthroline in a κ2N,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 intra-molecular hydrogen bonds with the amino groups of the acido ligands. The Cd ion is six-coordinated in a distorted octa-hedral 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 1H NMR spectroscopy and DFT studies. The crystal studied was refined as an inversion twin.

Highlights

  • In the title compound, [Cd(C16H16O3)2(C12H8N2)]Á4H2O, 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 2N,O amino acid chelating mode, exhibiting an (N,N0)-trans disposition, and by 1,10-phenanthroline in a 2N,N0 mode

  • O—HÁ Á ÁO hydrogen bonds result in the formation of three-dimensional network structures

  • In this paper we report the synthesis and structure of a new cadmium complex with an l-tyrosine-derived ligand synthesized by the reduction of a Schiff base precursor

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Summary

Chemical context

Schiff bases are widely known as an important class of organic compounds and ligands in coordination chemistry. In recent years they have found applications in the fields of analytical chemistry, medicine and biological processes, displaying antifungal, antibacterial and anticancer activities (Przybylski et al, 2009; Dhar & Taploo, 1982). Such systems are considered important ligands for coordination and supramolecular compounds (Moroz et al, 2012). Symmetry codes: (i) x; y þ 1; z; (ii) y À 1; x; Àz; (iii) y; x þ 1; Àz; (iv) Ày þ 32; x þ 12; z À 14

Structural commentary
Supramolecular features
DFT study
Frontier molecular orbital analysis
Database survey
Synthesis and crystallization
Refinement
H9 H12 H15 H16 H10A H10B H13 H4 H7 H1A H1B H6 H5 H17 H19 H18 H1C H3 H22
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