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Article

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Published version

Publication date

2012

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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/150501

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

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https://doi.org/10.1107/S0108270112003186

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.

Subject

Cristal·lografia, Raigs X, Estructura molecular

Subject (English)

Crystallography, X-rays, Molecular structure

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

Citation

MATA, Ignasi, et al. CH....X (X = O, N, p) interactions in benzyl carbamate. Acta Crystallographica Section C: Crystal Structure Communications. 2012. Vol. C68, num. 114-118. ISSN 0108-2701. [consulted: 12 of June of 2026]. Available at: https://hdl.handle.net/2445/150501

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