1.
J Mol Model
; 13(1): 219-24, 2007 Jan.
Artigo
em Inglês
| MEDLINE
| ID: mdl-17024404
RESUMO
The structure of 6-amino-4-methylamino-5-nitrosopyrimidine in the solid state and dimethylsulfoxide solution was investigated using single crystal X-ray diffraction and (1)H, (13)C NMR spectroscopy methods. Hartree-Fock (HF) and density functional (DFT) levels of theory were used to interpret the experimental data obtained by X-ray and NMR methods.