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Title: CH....X (X = O, N, p) interactions in benzyl carbamate
Author: Mata, Ignasi
Molins i Grau, Elies
Amat Tusón, Mercedes
Llor Brunés, Núria
Checa Castaño, Begoña
Keywords: Cristal·lografia
Raigs X
Estructura molecular
Molecular structure
Issue Date: 2012
Publisher: International Union of Crystallography
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.
Note: Reproducció del document publicat a:
It is part of: Acta Crystallographica Section C: Crystal Structure Communications, 2012, vol. C68, p. 114-118
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ISSN: 0108-2701
Appears in Collections:Articles publicats en revistes (Farmacologia, Toxicologia i Química Terapèutica)

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