N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(S)-glutamic acid: a three-dimensional framework structure built from O--H...O, N--H...O and O--H...N hydrogen bonds.
The title compound, C(10)H(13)N(5)O(6), exhibits a highly polarized molecular-electronic structure and the conformation is influenced by two intramolecular N-H.O hydrogen bonds. The molecules are linked into a single framework by hydrogen bonds of types O-H.O [O-H = 1.22, H.O = 1.38, O.O = 2.558 (6) A and O-H.O = 160 degrees ], N-H.O [H.O = 2.26, N.O = 2.866 (6) A and N-H.O = 126 degrees ] and O-H.N [O-H = 1.26, H.N = 1.56, O.N = 2.811 (6) A and O-H.N = 170 degrees ]. The substructure generated by the O-H.O and N-H.O hydrogen bonds takes the form of a double helix.
Arranz Mascarós
Paloma
P
Departamento de Química Inorgánica y Orgánica, Universidad de Jaén, 23071 Jaén, Spain.
Gutiérrez Valero
M Dolores
MD
Low
John N
JN
Glidewell
Christopher
C
D018360:Crystallography, X-Ray; D018698:Glutamic Acid / Q000031:analogs & derivatives* / Q000737:chemistry*; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D011743:Pyrimidines / Q000737:chemistry*
C474730:N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-glutamic acid; D011743:Pyrimidines; D018698:Glutamic Acid