C—H...X(X= O, N or π) interactions in benzyl carbamate

Abstract

The crystal packing and interaction energy of benzyl carbamate, C8H9NO2, have been analysed in detail by thePIXELmethod. Benzyl carbamate forms layers of hydrogen-bonded molecules, with the layers connected by weaker C—H...π interactions. According to thePIXELanalysis, combinations of C—H...X(X= O, N or π) interactions are comparable in energy with hydrogen bonding. These interactions are necessary for explaining the geometry and the assembly of the layers.