Crystal structure of aqua-1?O-{?-2-[(2-hydroxy-ethyl)methylamino]ethanolato-2:1?(4) O (1),N,O (2):O (1)}[?-2,2'-(methylimino)diethanolato-1:2?(4) O,N,O':O]dithiocyanato-1?N,2?N-chromium(III)copper(II).

ABSTRACT: The title compound, [CrCu(C5H11NO2)(C5H12NO2)(NCS)2(H2O)] or [Cr(?-mdea)Cu(?-Hmdea)(NCS)2H2O], (where mdeaH2 is N-methylethanolamine, C5H13NO2) is formed as a neutral heterometal Cu(II)/Cr(III) complex. The mol-ecular structure of the complex is based on a binuclear {CuCr(?-O)2} core. The coordination environment of each metal atom involves the N,O,O atoms of the tridentate ligand, one bridging O atom of the ligand and the N atom of the thio-cyanato ligands. The Cu(II) ion adopts a distorted square-pyramidal coordination while the Cr(III) ion has a distorted octa-hedral coordination geometry completed by the aqua ligand. In the crystal, the binuclear complexes are linked via two pairs of O-H?O hydrogen bonds to form inversion dimers, which are arranged in columns parallel to the a axis. In the ?-mdea ligand two -CH2 groups and the methyl group were refined as disordered over two sets of sites with equal occupancies. The structure was refined as a two-component twin with a twin scale factor of 0.242?(1).

SUBMITTER: Rusanova JA 

PROVIDER: S-EPMC4555407 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature