Potassium oxalurate monohydrate

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 ro...

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Bibliographic Details
Format: Article
Language:English
Published: International Union of Crystallography 2009-03-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809005637
Description
Summary: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.
ISSN:1600-5368