title: C-H···X (X = O, N or π) interactions in benzyl carbamate.
abstract: The crystal packing and interaction energy of benzyl carbamate, C(8)H(9)NO(2), 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.
authors.affiliation: Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Bellaterra, Spain. imata@icmab.es
authors.forename: Ignasi
authors.initials: I
authors.lastname: Mata
authors.forename: Elies
authors.initials: E
authors.lastname: Molins
authors.forename: Mercedes
authors.initials: M
authors.lastname: Amat
authors.forename: Núria
authors.initials: N
authors.lastname: Llor
authors.forename: Begoña
authors.initials: B
authors.lastname: Checa
mesh_terms: D001593:Benzyl Compounds / Q000737:chemistry*; D002219:Carbamates / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D015394:Molecular Structure
chemical_list: D001593:Benzyl Compounds; D002219:Carbamates