515810-87-4Relevant articles and documents
1-(nitrosoamino)benzimidazoles containing electron-acceptor substituents at the amine nitrogen. Theoretical and experimental investigation of conformational mobility
Dyablo,Kletskii,Pozharskii,Yakovleva
, p. 954 - 964 (2002)
The previously unknown 1-(N-nitrosoallylamino)- and 1-(N-nitrosopropargylamino)benzimidazoles have been synthesized and they exist in solution as a mixture of the E- and Z-conformers due to hindered rotation around the N-N(O) bond. The activation energies for the E ? Z transition in these compounds and for the model N-benzyl analog have been determined by a dynamic 1H NMR method. With a view to studying the effect of a substituent at the amino nitrogen on the E ? Z isomerization we have carried out 3-21G and 6-31G** type ab initio calculations of the stable conformers of a series of N-nitrosohydrazines.
