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Título

Structural diversity of hydrogen-bonded 4-aryl-3,5-dimethylpyrazoles for supramolecular materials

AutorMoyano, Sandra CSIC; Diosdado, Beatriz E. CSIC; San Felices, Leire; Elduque, Anabel CSIC; Giménez Soro, Raquel CSIC ORCID
Palabras claveSupramolecular chemistry
Hirshfeld surface analysis
Hydrogen bond
X-ray
Pyrazole
Luminescence
Fecha de publicación2021
EditorMultidisciplinary Digital Publishing Institute
CitaciónMaterials 14(16): 4550 (2021)
ResumenThe 1H-pyrazoles have high versatility and ability to form hydrogen-bonded supramolecular materials. In this study, the thermal stability, fluorescence, and H-bonding ability of the studied 3,5-dimethyl-4-(4-X-phenyl)-1H-pyrazoles showed large differences depending on the terminal substituent. Supramolecular structures were analyzed using X-ray diffraction and Hirshfeld surface calculations. Compounds were found to arrange in different hydrogen-bonded structures, depending on the substitution at the para position of the phenyl ring (X = OCH3, NO2, NH2). The methoxy-substituted compounds arranged in dimers through methanol bridges, the nitro-substituted compound formed supramolecular polymers or catemers, and the amino-substituted compound gave rise to a new structure based on a 2D hydrogen-bonded network.
DescripciónThis article belongs to the Section Materials Chemistry.
Versión del editorhttps://doi.org/10.3390/ma14164550
URIhttp://hdl.handle.net/10261/261547
DOI10.3390/ma14164550
E-ISSN1996-1944
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