An X-shaped cyano–carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones†
Abstract
An X-shaped CN⋯CO 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.