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CH....X (X = O, N, p) interactions in benzyl carbamate

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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.

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Acta Crystallographica Section C: Crystal Structure Communications, 2012, vol. C68, p. 114-118

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(c) International Union of Crystallography, 2012

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Articles publicats en revistes (Farmacologia, Toxicologia i Química Terapèutica)

# metadata.dc.title[].value
CH....X (X = O, N, p) interactions in benzyl carbamate