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

Julia A Rusanova,Viktoriya V Dyakonenko,Oleg V Shishkin,Valentina V Semenaka

doi:10.1107/s2056989015015601

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 Cu(II)/Cr(III) complex. The mol-ecular 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 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 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).

Highlights

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 search for heterometallic complexes has been stimulated by the general interest in combining different metal atoms within one assembly, since even the synthesis of such complexes often represents a non-trivial task
Polydentate alkoxido ligands possessing versatile bridging modes were recognized as promising reagents for the synthesis of new heterometallic complexes

Summary

Chemical context

The search for heterometallic complexes has been stimulated by the general interest in combining different metal atoms within one assembly, since even the synthesis of such complexes often represents a non-trivial task. Polydentate alkoxido ligands possessing versatile bridging modes were recognized as promising reagents for the synthesis of new heterometallic complexes. N-alkyl derivatives are recognized N,O ligands that possess an interesting coordination chemistry and are often used for the design of various multimetallic cores and polymeric assemblies (Allen, 2002; Singh & Mehrotra, 2004; Verkade, 1993; Stamatatos et al, 2008; Beedle et al, 2008; Kirillov et al., 2008). E71, 1077–1080 doi:10.1107/S2056989015015601 research communications heterotrimetallic (Nesterov et al, 2011), polymeric [Nesterova (Pryma) et al, 2004; Nesterova et al, 2005, 2008] and polynuclear (Nesterov et al, 2012) complexes. In a continuation of our investigations in the field of the ammonium salt route for direct synthesis (Pryma et al, 2003; Nikitina et al, 2008) the title compound [Cr(-mdea)Cu(-Hmdea)(NCS)2H2O]. (where mdeaH2 is N-methylethanolamine) was prepared using copper powder, Reineckes salt, ammonium thiocyanate and a non-aqueous solution of mdeaH2 in air

Structural commentary

Supramolecular features

Database survey

Synthesis and crystallization

Refinement