Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/118854
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dc.contributor.authorProhens López, Rafael-
dc.contributor.authorPortell Bueso, Anna-
dc.contributor.authorFont Bardia, Ma. Mercedes-
dc.contributor.authorBauzá, Antonio-
dc.contributor.authorFrontera, Antonio-
dc.date.accessioned2017-12-22T09:15:59Z-
dc.date.available2017-12-22T09:15:59Z-
dc.date.issued2016-07-11-
dc.identifier.issn1466-8033-
dc.identifier.urihttp://hdl.handle.net/2445/118854-
dc.description.abstractWe report the X-ray solid state structures of two tertiary squaramides, i.e. 3-(diethylamino)-4-ethoxy-cyclobutene-1,2-dione (1) and bis-3,4-(diethylamino)-cyclobutene-1,2-dione (2). Compound 1 forms electrostatically compressed dimers in the solid state. Moreover, compound 2 exhibits a remarkable solid state architecture resembling a lipid bilayer. This supramolecular assembly has been analyzed using high level DFT calculations and Bader's theory of "atoms-in-molecules". The antiparallel CO⋯CO interactions of the cyclobutenedione rings and hydrophobic interactions involving the ethyl chains are crucial for the formation of the bilayer assembly in the solid state-
dc.format.extent7 p.-
dc.format.mimetypeapplication/pdf-
dc.language.isoeng-
dc.publisherRoyal Society of Chemistry-
dc.relation.isformatofReproducció del document publicat a: https://doi.org/10.1039/C6CE01299J-
dc.relation.ispartofCrystengcomm, 2016, vol. 18, p. 6437-6443-
dc.relation.urihttps://doi.org/10.1039/C6CE01299J-
dc.rightscc-by (c) Prohens López, Rafael et al., 2016-
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/es-
dc.subject.classificationPolimorfisme (Cristal·lografia)-
dc.subject.classificationQuímica supramolecular-
dc.subject.otherPolymorphism (Crystallography)-
dc.subject.otherSupramolecular chemistry-
dc.titleExperimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides-
dc.typeinfo:eu-repo/semantics/article-
dc.typeinfo:eu-repo/semantics/publishedVersion-
dc.identifier.idgrec668099-
dc.date.updated2017-12-22T09:15:59Z-
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess-
Appears in Collections:Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)

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