An unusual C
C⋯C
O interaction in (Z)-3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates†
Abstract
An unusual CC⋯C
O interaction has been discovered in (Z)-3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates and rationalized by the density functional theory calculations. Second order perturbation theory analysis based on the NBO method and LMOEDA energy decomposition further reveals that the C
C⋯C
O interaction is mainly dominated by dispersion and electrostatic energies, and two orbital interactions.