Potassium oxalurate monohydrate

Lian-Feng Zhang

doi:10.1107/s1600536809005637

Abstract

The title salt, poly[aqua-μ3-oxalurato-potassium(I)], [K(C3H3N2O4)(H2O)]n, which was obtained from a water solution of oxaluric acid and KOH at room temperature, crystallizes as potassium and oxalurate ions along with a water molecule. The K+ cation lies on a crystallographic twofold rotation axis (site symmetry 2, Wyckoff position f), and the water and oxalurate molecules are located within different mirror planes (site symmetry m, Wyckoff position g). The K+ cation is eight-coordinated by six O atoms of six oxalurate ligands and two O atoms from two water molecules in a distorted square-antiprismatic geometry. All of the eight coordinated O atoms are in a monodentate bridging mode, with alternate bridged K⋯K distances of 3.5575 (12) and 3.3738 (12) Å. The oxalurate ligand shows a μ3-bridging coordination mode, which links the K+ cation into a three-dimensional network. The oxalurate ligands and the water molecules are involved in inter- and intramolecular N—H⋯O, and O—H⋯O hydrogen bonds, which stabilize the network.

Highlights

[K(C3H3N2O4)(H2O)]n, which was obtained from a water solution of oxaluric acid and KOH at room temperature, crystallizes as potassium and oxalurate ions along with a water molecule
The K+ cation lies on a crystallographic twofold rotation axis, and the water and oxalurate molecules are located within different mirror planes
Cation is eight-coordinated by six O atoms of six oxalurate ligands and two O atoms from two water molecules in a distorted square-antiprismatic geometry

Summary

Data collection

College of Chemistry and Pharmacy Engineering, Nanyang Normal University, Nanyang 473061, People’s Republic of China. The K+ cation lies on a crystallographic twofold rotation axis (site symmetry 2, Wyckoff position f), and the water and oxalurate molecules are located within different mirror planes (site symmetry m, Wyckoff position g). Cation is eight-coordinated by six O atoms of six oxalurate ligands and two O atoms from two water molecules in a distorted square-antiprismatic geometry. The oxalurate ligand shows a 3-bridging coordination mode, which links the K+ cation into a threedimensional network. The oxalurate ligands and the water molecules are involved in inter- and intramolecular N—. Symmetry codes: (i) x þ 32; y þ 12; z þ 12; (ii) x þ 1; y; z. Symmetry codes: (i) x þ 32; y þ 12; z þ 12; (iii) x þ 1; y þ 1; z; (iv) x 1; y; z; (v).

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