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http://hdl.handle.net/2445/118854
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DC Field | Value | Language |
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dc.contributor.author | Prohens López, Rafael | - |
dc.contributor.author | Portell Bueso, Anna | - |
dc.contributor.author | Font Bardia, Ma. Mercedes | - |
dc.contributor.author | Bauzá, Antonio | - |
dc.contributor.author | Frontera, Antonio | - |
dc.date.accessioned | 2017-12-22T09:15:59Z | - |
dc.date.available | 2017-12-22T09:15:59Z | - |
dc.date.issued | 2016-07-11 | - |
dc.identifier.issn | 1466-8033 | - |
dc.identifier.uri | http://hdl.handle.net/2445/118854 | - |
dc.description.abstract | We 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.extent | 7 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | Royal Society of Chemistry | - |
dc.relation.isformatof | Reproducció del document publicat a: https://doi.org/10.1039/C6CE01299J | - |
dc.relation.ispartof | Crystengcomm, 2016, vol. 18, p. 6437-6443 | - |
dc.relation.uri | https://doi.org/10.1039/C6CE01299J | - |
dc.rights | cc-by (c) Prohens López, Rafael et al., 2016 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es | - |
dc.source | Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada) | - |
dc.subject.classification | Polimorfisme (Cristal·lografia) | - |
dc.subject.classification | Química supramolecular | - |
dc.subject.other | Polymorphism (Crystallography) | - |
dc.subject.other | Supramolecular chemistry | - |
dc.title | Experimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/publishedVersion | - |
dc.identifier.idgrec | 668099 | - |
dc.date.updated | 2017-12-22T09:15:59Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada) |
Files in This Item:
File | Description | Size | Format | |
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668099.pdf | 2.7 MB | Adobe PDF | View/Open |
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