(4-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ2O4,O5)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxylato-κ2O4,O5)bis(1,10-phenanthroline-κ2N,N′)gadolinium(III) dihydrate

Abstract

The title compound, [Gd(C5H2N2O4)(C5H3N2O4)(C12H8N2)2]·2H2O, was obtained from a solvothermal reaction of 2,4-dihydroxypyrimidine-5-carboxylic acid (H3iso), GdCl3·6H2O and 1,10-phenanthroline (phen). The GdIII ion is located on a twofold rotation axis and is coordinated by four N atoms from two chelating phen ligands and four O atoms (5-carboxylate and 4-oxido O atoms) from H2iso− and Hiso2− ligands. The molecules are linked into a three-dimensional network by N—H...O, N—H...N and O—H...O hydrogen bonds. The H atom involved in an N—H...N hydrogen bond is disordered around a twofold rotation axis with half occupancy.