Crystal structure of bis-[(S)-2-(2-hy-droxy-benzyl-amino)-4-methyl-penta-noato-?2 N,O 1](1,10-phenanthroline-?2 N,N')cadmium dihydrate.

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 ?2 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.

SUBMITTER: Faizi MSH 

PROVIDER: S-EPMC6218889 | biostudies-other | 2018 Nov

REPOSITORIES: biostudies-other