Atribución-NoComercial-SinDerivadas 4.0 InternacionalNieto Gómez, Carla IsabelSanz, DionisiaClaramunt, Rosa MaríaTorralba, María CarmenTorres, M. RosarioAlkorta, IbonElguero, José2024-08-302024-08-302017-10-23Nieto, 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.2017.10.1120022-2860https://doi.org/10.1016/j.molstruc.2017.10.112https://hdl.handle.net/20.500.14468/23585This 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.2017.10.112Este 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.2017.10.112The 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 determinedeninfo:eu-repo/semantics/openAccess23 QuímicaartículoDiazepinesCurcuminRotational disorderDFT calculationsGIAO