Crystal structure of bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}bis(μ-3,5-dimethylpyrazolato)tricopper(II) dibromide sesquihydrate

Abstract

In the title bicyclic trinuclear pyrazolate aminoalcohol complex, [Cu3(C5H7N2)2(C6H14NO3)2]Br2·1.5H2O, the central Cu atom lies on a center of symmetry and is involved in the formation of two five-membered rings. It has a coordination number of 4, is in a distorted tetrahedral environment and is connected by the bridging oxygen atoms of the deprotonated OH groups of different aminoalcohol groups, and by the N atoms of deprotonated dimethylpyrazole ligands. The peripheral Cu atom is in a trigonal–bipyramidal coordination environment formed by the nitrogen atom of the deprotonated bridging dimethylpyrazole unit, the bridging oxygen atom of the deprotonated OH group, two oxygen atoms of the protonated hydroxy groups and the nitrogen atom of triethanolamine. One of the C atoms and the Br− anion were found to be disordered over two positions with occupancy factors of 0.808 (9):0.192 (9) and 0.922 (3):0.078 (3), respectively.

Crystal structure and Hirshfeld surface analysis of di-μ-chlorido-bis[(acetonitrile-κN)chlorido(ethyl 5-methyl-1H-pyrazole-3-carboxylate-κ2 N 2,O)copper(II)]

“…Copper powder can be oxidized in solution in the presence of proton-donating agents, such as pyrazoles, to form polynuclear complexes, where two copper atoms are connected by a bidentate-bridging deprotonated pyrazole (Vynohradov et al, 2020b;Davydenko et al, 2013). Many examples of copper coordination compounds have been synthesized and described in which two copper atoms are connected by halogen bridges, for example, through chlorine anions, deprotonated ligand molecules and also hydroxyl groups (Vincent et al, 2018;Wei et al, 2012;Mezei et al, 2004).…”