title: Hydrated metal(II) complexes of N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding.
abstract: Nine hydrated complexes of Group 2 (alkaline earth) cations with organic ligands which are N-substituted amino acids containing the 6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl group have been structurally characterized. The octahydrated calcium glycinate complex, where the six-coordinate Ca cation lies on an inversion centre in the space group P(-)1, forms a finite (zero-dimensional) complex. The hexahydrated barium glycinate complex contains eight-coordinate Ba and it is isostructural with the known Sr analogue, and its one-dimensional coordination polymer takes the form of a simple chain. The octahydrated calcium and strontium threonine complexes are isostructural, with eight-coordinate cations lying on twofold rotation axes in the space group C2: the one-dimensional coordination polymers take the form of a chain of spiro-fused rings and a similar chain of spiro-fused rings is found in the heptahydrated barium serine complex, although here the ten-coordinate cation lies in a general position. In the tetrahydrated strontium and barium glycylglycinate complexes, the eight-coordinate cations lie on twofold rotation axes in the space group C2/c, but in the Sr complex the coordination polymer is a chain of spiro-fused rings, while in the Ba complex the coordination polymer forms deeply puckered sheets. There are two types of Ca site in the hexahydrated calcium valine complex: one is eight coordinate and gives rise to a two-dimensional coordination polymer, while the other is seven coordinate forming a finite, zero-dimensional coordination complex. In the heptahydrated barium methionine complex, the coordination polymer is three dimensional. In all of the complexes, the coordination aggregates are further linked by an extensive series of hydrogen bonds.
authors.affiliation: Departamento de Química Inorgánica y Orgánica, Universidad de Jaén, 23071 Jaén, Spain.
authors.forename: M Luz
authors.initials: ML
authors.lastname: Godino Salido
authors.forename: Paloma
authors.initials: P
authors.lastname: Arranz Mascarós
authors.forename: Rafaél
authors.initials: R
authors.lastname: López Garzón
authors.forename: M Dolores
authors.initials: MD
authors.lastname: Gutiérrez Valero
authors.forename: John N
authors.initials: JN
authors.lastname: Low
authors.forename: John F
authors.initials: JF
authors.lastname: Gallagher
authors.forename: Christopher
authors.initials: C
authors.lastname: Glidewell
mesh_terms: D000596:Amino Acids / Q000737:chemistry*; D001464:Barium / Q000737:chemistry; D002118:Calcium / Q000737:chemistry; D002413:Cations, Divalent / Q000737:chemistry*; D018360:Crystallography, X-Ray; D005998:Glycine / Q000031:analogs & derivatives / Q000737:chemistry; D006033:Glycylglycine / Q000031:analogs & derivatives / Q000737:chemistry; D006860:Hydrogen Bonding; D008024:Ligands; D008715:Methionine / Q000031:analogs & derivatives / Q000737:chemistry; D008968:Molecular Conformation; D015394:Molecular Structure; D008970:Molecular Weight; D009603:Nitroso Compounds / Q000737:chemistry*; D011108:Polymers / Q000737:chemistry; D011744:Pyrimidinones / Q000737:chemistry*; D012694:Serine / Q000031:analogs & derivatives / Q000737:chemistry; D013324:Strontium / Q000737:chemistry; D013912:Threonine / Q000031:analogs & derivatives / Q000737:chemistry; D014633:Valine / Q000031:analogs & derivatives / Q000737:chemistry; D014867:Water / Q000737:chemistry
chemical_list: D000596:Amino Acids; D002413:Cations, Divalent; D008024:Ligands; D009603:Nitroso Compounds; D011108:Polymers; D011744:Pyrimidinones; D014867:Water; D006033:Glycylglycine; D001464:Barium; D013912:Threonine; D012694:Serine; D008715:Methionine; D014633:Valine; D002118:Calcium; D005998:Glycine; D013324:Strontium