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

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

Daeyoung Kim  1 , Sung Kwon Kang  1
Affiliations

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

Daeyoung Kim et al. Acta Crystallogr E Crystallogr Commun. .

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.

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Figures

Figure 1
Figure 1
The mol­ecular structure of the title compound, showing the atom-numbering scheme and 30% probability ellipsoids for non-H atoms. H atoms are drawn as small spheres of arbitrary radii. The O—H⋯O hydrogen bonds are indicated by dashed lines.
Figure 2
Figure 2
Part of the packing diagram of the title compound, showing mol­ecules linked by inter­molecular O—H⋯O and N—H⋯O hydrogen bonds (dashed lines).
See this image and copyright information in PMC

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