R. Jasiński, Barbara Mirosław, O. Demchuk
Mar 15, 2016
Citations
0
Influential Citations
21
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract To explain an extremely low reactivity of (2E)-3-[4-(dimethylamino)phenyl]-2-nitroprop-2-enenitrile (1) in regard to other similar derivatives, the molecular structure of the title compound has been studied by experimental and theoretical methods. The crystal structure analysis provided the evidence, that the title compound exists in a solid state as a stable E-isomer in a zwitterionic form. Based on NMR, IR, UV/VIS spectroscopic and DFT calculations data, this structure has been also proposed for 1 dissolved in organic solvents.