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

• Published in: Acta crystallographica. Section B, Structural science Vol. 57; no. 3; pp. 317 - 328
• Main Authors: Low, John N., Moreno Sánchez, Jose M., Arranz Mascarós, Paloma, Godino Salido, M. Luz, López Garzon, Rafael, Cobo Domingo, Justo, Glidewell, Christopher
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.06.2001; Blackwell
• Subjects: Condensed matter: structure, mechanical and thermal properties; Exact sciences and technology; hydrated; Inorganic compounds; Metal complexes; Physics; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; supramolecular structures; Inorganic compounds; Transition element complexes; Molecular structure; Nitrogen heterocycle; Organic ligand; Manganese II Complexes; XRD; Lithium complexes; Experimental study; α-Aminoacid; Hydrogen bonds; Aqua complex; Nitroso compounds; Six membered ring; Temperature range 65-273 K; Sodium complexes; Primary amine; Carboxylates; Potassium complexes; Low temperature; Hydrates; Crystal structure
• ISSN: 0108-7681; 1600-5740
• DOI: 10.1107/S0108768100020280

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.