Hydrated metal complexes of N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate: interplay of molecular, molecular-electronic and supramolecular structures

The title anion, (C7H8N5O4)−, L−, forms hydrated metal complexes with a range of metal ions M+ and M2+. Lithium and manganese(II) form finite molecular aggregates [Li(L)(H2O)3] (1) and [Mn(L)2(H2O)4].6H2O (4) in which the molecular aggregates are linked into three‐dimensional frameworks by extensive hydrogen bonding. The sodium and potassium derivatives, [Na2(L)2(H2O)3] (2) and [K(L)(H2O)] (3) both form organic–inorganic hybrid sheets in which metal–oxygen ribbons are linked by strips containing only organic ligands: these sheets are linked by hydrogen bonds into three‐dimensional frameworks. In (2) the metal–oxygen ribbon is built from pairs of edge‐shared trigonal bipyramids linked by water molecules, while in (3) it consists of a continuous chain of vertex‐sharing octahedra. The nitroso group in the anion acts as an η1 ligand towards Na+ and as an η2 ligand towards K+. In all cases the anion L− shows the same unusual pattern of interatomic distances as the neutral parent LH.