G. Roman, Costel Agache, I. Manciulea
2007
Citations
0
Influential Citations
5
Citations
Journal
ChemInform
Abstract
A series of new N-aminomethylation compounds has been obtained from 5-phenyl-1,3,4-oxadiazole-2-thione through reaction with formaldehyde and less common aliphatic and aromatic amines. The conformational isomers of 5-(5phenyl-2-thioxo-1,3,4-oxadiazole-3-methylamino)isophthalate have been investigated using the STO-2G basis set. Four minimum energy structures have been found on the electronic potential energy surface. The relative stability of conformational isomers and the barrier height for conformational interconversion are presented.