Crystal structure of aqua-(1 H-pyrazole-κ N2)(pyridine-2,6-di-carboxyl-ato-κ3O2, N, O6)copper(II) dihydrate

Acta Crystallogr E Crystallogr Commun. 2017 Nov 17;73(Pt 12):1875-1877. doi: 10.1107/S2056989017016231. eCollection 2017 Dec 1.

Abstract

In the title compound, [Cu(C7H3NO4)(C3H4N2)(H2O)]·2H2O, the CuII atom is coordinated by three O atoms and two N atoms, provided by a tridentate pyridine-2,6-di-carboxyl-ate (pdc), one pyrazole and one water ligand, forming a slightly distorted square-pyramidal geometry [range of O-Cu-O and O-Cu-N bond angles = 79.55 (8)-166.22 (10)°]. The water mol-ecule is positioned at the apical position. In the crystal, the complex mol-ecule and the two crystallographically independent non-coordinating water mol-ecules are linked into a supra-molecular layer structure parallel to the ab plane via O-H⋯O and N-H⋯O hydrogen bonds.

Keywords: crystal structure; pyrazole; pyridine-2,6-di­carboxyl­ate; square-pyramidal CuII complex.

Grants and funding

This work was funded by Chungnam National University grant .