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Crystal structure of bis­[(S)-2-(2-hy­droxy­benzyl­amino)-4-methyl­penta­noato-κ(2) N,O (1)](1,10-phenanthroline-κ(2) N,N′)cadmium dihydrate

The asymmetric unit of the mononuclear mixed-ligand title complex, [Cd(C(13)H(18)NO(3))(2)(C(12)H(8)N(2))]·2H(2)O, contains two crystallographically independent mol­ecules that differ insignificantly in their geometrical parameters. In both, the Cd(II) cation lies on a twofold rotation axis and is c...

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Detalles Bibliográficos
Autores principales: Faizi, Md. Serajul Haque, Dege, Necmi, Pogrebetsky, James, Iskenderov, Turganbay S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218889/
https://www.ncbi.nlm.nih.gov/pubmed/30443381
http://dx.doi.org/10.1107/S2056989018013877
Descripción
Sumario:The asymmetric unit of the mononuclear mixed-ligand title complex, [Cd(C(13)H(18)NO(3))(2)(C(12)H(8)N(2))]·2H(2)O, contains two crystallographically independent mol­ecules that differ insignificantly in their geometrical parameters. In both, the Cd(II) 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 κ(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 inter­molecular 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 mol­ecules 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 (1)H NMR spectroscopic methods.