Issue 19, 2020

An X-shaped cyano–carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones

Abstract

An X-shaped C[triple bond, length as m-dash]N⋯C[double bond, length as m-dash]O interaction, which plays a critical role in dictating the molecule conformation and crystal packing patterns, has been found to occur on the polar surface of (cyanoacetyl)hydrazones, and is rationalized by density functional theory calculations. MEPs, NBOs and topological analyses offer further support for the interaction.

Graphical abstract: An X-shaped cyano–carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones

Supplementary files

Article information

Article type
Communication
Submitted
08 Mar 2020
Accepted
15 Apr 2020
First published
15 Apr 2020

CrystEngComm, 2020,22, 3274-3278

An X-shaped cyano–carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones

Z. Zhang, CrystEngComm, 2020, 22, 3274 DOI: 10.1039/D0CE00359J

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