Document Detail


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.
MedLine Citation:
PMID:  14734844     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
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:
M Luz Godino Salido; Paloma Arranz Mascarós; Rafaél López Garzón; M Dolores Gutiérrez Valero; John N Low; John F Gallagher; Christopher Glidewell
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't     Date:  2004-01-21
Journal Detail:
Title:  Acta crystallographica. Section B, Structural science     Volume:  60     ISSN:  0108-7681     ISO Abbreviation:  Acta Crystallogr., B     Publication Date:  2004 Feb 
Date Detail:
Created Date:  2004-01-21     Completed Date:  2004-06-24     Revised Date:  2008-11-17    
Medline Journal Info:
Nlm Unique ID:  8403252     Medline TA:  Acta Crystallogr B     Country:  Denmark    
Other Details:
Languages:  eng     Pagination:  46-64     Citation Subset:  IM    
Affiliation:
Departamento de Química Inorgánica y Orgánica, Universidad de Jaén, 23071 Jaén, Spain.
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MeSH Terms
Descriptor/Qualifier:
Amino Acids / chemistry*
Barium / chemistry
Calcium / chemistry
Cations, Divalent / chemistry*
Crystallography, X-Ray
Glycine / analogs & derivatives,  chemistry
Glycylglycine / analogs & derivatives,  chemistry
Hydrogen Bonding
Ligands
Methionine / analogs & derivatives,  chemistry
Molecular Conformation
Molecular Structure
Molecular Weight
Nitroso Compounds / chemistry*
Polymers / chemistry
Pyrimidinones / chemistry*
Serine / analogs & derivatives,  chemistry
Strontium / chemistry
Threonine / analogs & derivatives,  chemistry
Valine / analogs & derivatives,  chemistry
Water / chemistry
Chemical
Reg. No./Substance:
0/Amino Acids; 0/Cations, Divalent; 0/Ligands; 0/Nitroso Compounds; 0/Polymers; 0/Pyrimidinones; 556-50-3/Glycylglycine; 56-40-6/Glycine; 56-45-1/Serine; 63-68-3/Methionine; 7004-03-7/Valine; 72-19-5/Threonine; 7440-24-6/Strontium; 7440-39-3/Barium; 7440-70-2/Calcium; 7732-18-5/Water
Comments/Corrections
Erratum In:
Acta Crystallogr B. 2006 Feb;62(Pt 1):165

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