A scarce C![[double bond, length as m-dash]](https://www.rsc.org/images/entities/char_e001.gif)
C⋯C![[triple bond, length as m-dash]](https://www.rsc.org/images/entities/char_e002.gif)
N π-hole interaction in (E)-isomers of 3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates†
Zhenfeng
Zhang 
*a
and
Nana
Ma
a
*a
and
Nana
Ma
a
Abstract
A scarce and interesting CC⋯CN π-hole interaction has been found to occur in (E)-3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates, which plays an essential role in defining the crystal packing patterns. DFT calculations offer effective support for the interaction. ESPs and NBO analysis further reveal that its nature is both electrostatic interaction and electronic delocalization.
![Graphical abstract: A scarce C [[double bond, length as m-dash]] C⋯C [[triple bond, length as m-dash]] N π-hole interaction in (E)-isomers of 3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates](/en/Image/Get?imageInfo.ImageType=GA&imageInfo.ImageIdentifier.ManuscriptID=C8NJ04000A&imageInfo.ImageIdentifier.Year=2018)
Please wait while we load your content...
![[double bond, length as m-dash]](https://www.rsc.org/images/entities/h2_char_e001.gif)
C⋯C![[triple bond, length as m-dash]](https://www.rsc.org/images/entities/h2_char_e002.gif)
N π-hole interaction in (E)-isomers of 3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates
