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Molecular structure in the solid state by X-ray crystallography and SSNMR and in solution by NMR of two 1,4-diazepines

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dc.contributor.authorNieto Gómez, Carla Isabel
dc.contributor.authorSanz del Castillo, Dionisia
dc.contributor.authorClaramunt, Rosa María
dc.contributor.authorTorralba, María Carmen
dc.contributor.authorTorres, M. Rosario
dc.contributor.authorAlkorta, Ibon
dc.contributor.authorElguero, José
dc.date.accessioned2024-08-30T08:14:03Z
dc.date.available2024-08-30T08:14:03Z
dc.date.issued2017-10-23
dc.descriptionThis is an Accepted Manuscript of an article published in “Journal of Molecular Structure, 1155, 205-214", is available online at the publisher's website: Elsevier, https://doi.org/10.1016/j.molstruc.2017.10.112
dc.descriptionEste es el manuscrito aceptado del artículo publicado en “Journal of Molecular Structure, 1155, 205-214", disponible en línea en el sitio web del editor: Elsevier, https://doi.org/10.1016/j.molstruc.2017.10.112
dc.description.abstractThe crystals of two 1,4-diazepines prepared from curcuminoid β-diketones and ethylenediamine were studied by X-ray crystallography and NMR. Their tautomerism, intramolecular hydrogen bonds and conformation were determineden
dc.description.versionversión final
dc.identifier.citationNieto, C. I., Sanz, D., Claramunt, R. M., Torralba, M. C., Torres, M. R., Alkorta, I., & Elguero, J. (2018). Molecular structure in the solid state by X-ray crystallography and SSNMR and in solution by NMR of two 1,4-diazepines. Journal of Molecular Structure, 1155, 205-214. https://doi.org/10.1016/J.MOLSTRUC.2017.10.112
dc.identifier.doihttps://doi.org/10.1016/j.molstruc.2017.10.112
dc.identifier.issn0022-2860
dc.identifier.urihttps://hdl.handle.net/20.500.14468/23585
dc.journal.issue1155
dc.journal.titleJournal of Molecular Structure
dc.language.isoen
dc.page.final214
dc.page.initial205
dc.publisherElsevier
dc.relation.centerFacultad de Ciencias
dc.relation.departmentQuímica Orgánica y Bio-Orgánica
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rights.licenseAtribución-NoComercial-SinDerivadas 4.0 Internacional
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
dc.subject23 Química
dc.subject.keywordsDiazepinesen
dc.subject.keywordsCurcuminen
dc.subject.keywordsRotational disorderen
dc.subject.keywordsDFT calculationsen
dc.subject.keywordsGIAOen
dc.titleMolecular structure in the solid state by X-ray crystallography and SSNMR and in solution by NMR of two 1,4-diazepinesen
dc.typeartículoes
dc.typejournal articleen
dspace.entity.typePublication
relation.isAuthorOfPublicationc6f94a2a-9f54-48f9-a6f1-3115b17b098d
relation.isAuthorOfPublicationc4e6468b-75c5-452b-bf12-9637dd3519f3
relation.isAuthorOfPublication.latestForDiscoveryc6f94a2a-9f54-48f9-a6f1-3115b17b098d
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