Crystal structure of aqua-1κO-{μ-2-[(2-hydroxyethyl)methylamino]ethanolato-2:1κ4O1,N,O2:O1}[μ-2,2′-(methylimino)diethanolato-1:2κ4O,N,O′:O]dithiocyanato-1κN,2κN-chromium(III)copper(II)

Abstract

The title compound, [CrCu(C5H11NO2)(C5H12NO2)(NCS)2(H2O)] or [Cr(μ-mdea)Cu(μ-Hmdea)(NCS)2H2O], (where mdeaH2 is N-methylethanolamine, C5H13NO2) is formed as a neutral heterometal CuII/CrIII complex. The molecular structure of the complex is based on a binuclear {CuCr(μ-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 thiocyanato ligands. The CuII ion adopts a distorted square-pyramidal coordination while the CrIII ion has a distorted octahedral 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 μ-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).

Keywords

• crystal structure
• N-methyldiethanolamine
• heterometal CuII/CrIII complex