An unusual C![[double bond, length as m-dash]](https://www.rsc.org/images/entities/char_e001.gif)
C⋯CO interaction in (Z)-3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates†
Abstract
An unusual CC⋯CO 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 CC⋯CO interaction is mainly dominated by dispersion and electrostatic energies, and two orbital interactions.
![Graphical abstract: An unusual C [[double bond, length as m-dash]] C⋯C [[double bond, length as m-dash]] O interaction in (Z)-3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates](/en/Image/Get?imageInfo.ImageType=GA&imageInfo.ImageIdentifier.ManuscriptID=C5NJ01814E&imageInfo.ImageIdentifier.Year=2016)
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![[double bond, length as m-dash]](https://www.rsc.org/images/entities/h2_char_e001.gif)
C⋯C
