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Title

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

AuthorsNieto, Carla I.; Sanz, Dionisia; Claramunt, Rosa M.; Torralba, M. Carmen; Torres, M. Rosario; Alkorta, Ibon ; Elguero, José
KeywordsGIAO
Rotational disorder
DFT calculations
Curcumin
Diazepines
Issue Date2018
PublisherElsevier
CitationJournal of Molecular Structure 1155: 205-214 (2018)
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 determined.
Publisher version (URL)http://dx.doi.org/10.1016/j.molstruc.2017.10.112
URIhttp://hdl.handle.net/10261/160943
Identifiersdoi: 10.1016/j.molstruc.2017.10.112
issn: 0022-2860
Appears in Collections:(IQM) Artículos
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