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 the PIXEL method. Benzyl carbamate forms layers of hydrogen‐bonded molecules, with the layers connected by weaker C—H...π interactions. According to the PIXEL analysis, 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.
Document Type: Research Article
Publication date: March 15, 2012