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

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dc.contributor.authorMata, Ignasi
dc.contributor.authorMolins i Grau, Elies
dc.contributor.authorAmat Tusón, Mercedes
dc.contributor.authorLlor Brunés, Núria
dc.contributor.authorCheca Castaño, Begoña
dc.date.accessioned2020-02-17T15:59:26Z
dc.date.available2020-02-17T15:59:26Z
dc.date.issued2012
dc.date.updated2020-02-17T15:59:26Z
dc.description.abstractThe 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.
dc.format.extent5 p.
dc.format.mimetypeapplication/pdf
dc.identifier.idgrec604672
dc.identifier.issn0108-2701
dc.identifier.urihttps://hdl.handle.net/2445/150501
dc.language.isoeng
dc.publisherInternational Union of Crystallography
dc.relation.isformatofReproducció del document publicat a: https://doi.org/10.1107/S0108270112003186
dc.relation.ispartofActa Crystallographica Section C: Crystal Structure Communications, 2012, vol. C68, p. 114-118
dc.relation.urihttps://doi.org/10.1107/S0108270112003186
dc.rights(c) International Union of Crystallography, 2012
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.sourceArticles publicats en revistes (Farmacologia, Toxicologia i Química Terapèutica)
dc.subject.classificationCristal·lografia
dc.subject.classificationRaigs X
dc.subject.classificationEstructura molecular
dc.subject.otherCrystallography
dc.subject.otherX-rays
dc.subject.otherMolecular structure
dc.titleCH....X (X = O, N, p) interactions in benzyl carbamate
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:eu-repo/semantics/publishedVersion

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