Abstract

The asymmetric unit of the mononuclear mixed-ligand title complex, [Cd(C13H18NO3)2(C12H8N2)]·2H2O, contains two crystallographically independent mol-ecules that differ insignificantly in their geometrical parameters. In both, the CdII cation lies on a twofold rotation axis and is coordinated in a distorted octa-hedral fashion to two monodeprotonated residues of the l-leucine-derived ligand (S)-2-(2-hy-droxy-benzyl-amino)-4-methyl-penta-noic acid (L), as well as to a 1,10-phenanthroline ligand in a κ2 N,N' mode. The former coordinate in an N,O-chelating mode, exhibiting a trans-N,N' mutual disposition. The phenolic oxygen donor groups remain protonated and do not coordinate to the cation but take part in intra- and inter-molecular hydrogen bonds. In the crystal, O-H⋯O hydrogen bonding results in the formation of a three-dimensional network structure. The contribution to the electron density of two disordered water mol-ecules was removed with the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9-18]. The studied crystal was refined as a two-component inversion twin. The title complex was also characterized by IR and 1H NMR spectroscopic methods.

Highlights

  • The asymmetric unit of the mononuclear mixed-ligand title complex, [Cd(C13H18NO3)2(C12H8N2)]Á2H2O, contains two crystallographically independent molecules that differ insignificantly in their geometrical parameters

  • The CdII cation lies on a twofold rotation axis and is coordinated in a distorted octahedral fashion to two monodeprotonated residues of the l-leucine-derived ligand (S)-2-(2-hydroxybenzylamino)-4-methylpentanoic acid (L), as well as to a 1,10-phenanthroline ligand in a 2N,N0 mode

  • The metal cation is located on a twofold rotation axis and is coordinated by three chelating ligands, leading to a distorted octahedral N4O2 coordination sphere

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Summary

Chemical context

Schiff base metal complexes are an important research area with respect to inorganic and supramolecular chemistry (Burkhardt et al, 2008; Przybylski et al, 2009; Moroz et al, 2012) Such compounds have been found to exhibit a number of properties among which are antibacterial, antifungal, antitumor, herbicidal activities (Asadi et al, 2011), as well as having applications in pharmaceutical, agricultural and industrial chemistry (Anis et al, 2013). Unlike oximes, another azomethine ligand family (Sliva et al, 1997; Penkova et al, 2010; Pavlishchuk et al, 2010), Schiff base ligands containing additional polar or acidic groups are known for their enhanced reactivity and, as a consequence, instability upon coordination to metals (Casella & Gullotti, 1983). Symmetry codes: (i) Àx þ 12; y À 12; Àz þ 32; (ii) Àx þ 1; y; Àz þ 2

Structural commentary
Supramolecular features
Database survey
Synthesis and crystallization
Findings
Refinement
Full Text
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