132658-65-2Relevant academic research and scientific papers
Molecular Structure in the Solid State (X-Ray Crystallography) and in Solution (1H and 13C Nuclear Magnetic Resonance Spectroscopy) of 1,3-Diazetidines and Pentasubstituted Biguanides. X-Ray Molecular Structure of 2,4-Bis-(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)-...
Claramunt, Rosa M.,Foces-Foces, Maria de la Concepcion,Cano, Felix Hernandez,Fruchier, Alain,Molina, Pedro,et al.
, p. 1859 - 1869 (1990)
The molecular structures of a hexa- and a penta-substituted biguanide have been solved by X-ray crystallography: compound (9c) disubstituted at N(5) by (as) a piperidine ring, and compound (11b) monosubstituted at N(5) by a dimethylamino group.The X-ray structures can be used to explain the 1H and 13C NMR behaviour observed for these and related compounds.Consideration of the intramolecular hydrogen bonds between the NH and C=O groups is essential for the determination of the structure and spectroscopic properties of biguanides.In addition, the precursor diazetidines have also been studied by NMR spectroscopy: the Z,Z-isomer is always the most abundant, but minor quantities of the E,E-isomer can be observed.
