Faizi Md Serajul Haque, Dege Necmi, Pogrebetsky James, Iskenderov Turganbay S
Department of Chemistry, Langat Singh College, Babasaheb Bhimrao Ambedkar Bihar University, Muzaffarpur, Bihar, India.
Ondokuz Mayis University, Arts and Sciences Faculty, Department of Physics, 55139 Samsun, Turkey.
Acta Crystallogr E Crystallogr Commun. 2018 Aug 24;74(Pt 9):1339-1343. doi: 10.1107/S205698901801157X. eCollection 2018 Sep 1.
In the title compound, [Cd(CHO)(CHN)]·4HO, the Cd ion lies on a twofold rotation axis and is chelated by two monodeprotonated residues of the l-tyrosine-derived ligand ()-2-[(2-hy-droxy-benz-yl)amino]-3-(4-hy-droxy-phen-yl)propanoic acid () in a κ, amino acid chelating mode, exhibiting an (,')- disposition, and by 1,10-phenanthroline in a κ,' 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 H NMR spectroscopy and DFT studies. The crystal studied was refined as an inversion twin.
在标题化合物[Cd(CHO)(CHN)]·4HO中，镉离子位于一个二重旋转轴上，通过L-酪氨酸衍生配体（）-2-[(2-羟基苄基)氨基]-3-(4-羟基苯基)丙酸的两个单去质子化残基以κ氨基酸螯合模式螯合，呈现（,'）构型，并通过1,10-菲咯啉以κ,'模式螯合。后一种配体也位于平分中心六元环的二重旋转轴周围。酚羟基保持质子化且不参与配位，作为受体参与分子内与酸性配体氨基的氢键作用。镉离子在扭曲的八面体环境中六配位。在晶体中，O-H⋯O氢键导致形成三维网络结构。该标题配合物还通过红外光谱、核磁共振氢谱和密度泛函理论研究进行了表征。所研究的晶体被精修为一个倒易孪晶。
