Uracil Derivatives for Halogen-Bonded Cocrystals

Autor segons l'article: Benito, M; Rosello, Y; Barcelo-Oliver, M; Frontera, A; Molins, E

Departament: Química Física i Inorgànica

Autor/s de la URV: Rosello Marin, Yannick

Paraules clau: Thymine; Nucleobases; Noncovalent interactions; Molecular recognition; Mechanochemistry; Dft; Crystal engineering; Crystal; Cocrystal

Resum: Among non-covalent interactions, halogen bonding is emerging as a new powerful tool for supramolecular self-assembly. Here, along with a green and effective method, we report three new halogen-bonded cocrystals containing uracil derivatives and 1,2,4,5-tetrafluoro-3,6-diiodobenzene as X-bond donor coformer. These multicomponent solids were prepared both by solvent-drop grinding and solution methods and further characterized by powder and single-crystal X-ray diffraction, Fourier-transformed infrared spectroscopy, and thermal methods (TGA-DSC). In order to study the relative importance of hydrogen versus halogen bonds in the crystal packing, computational methods were applied.</p>

Àrees temàtiques: Zootecnia / recursos pesqueiros; Spectroscopy; Saúde coletiva; Química; Psicología; Physical and theoretical chemistry; Organic chemistry; Odontología; Nutrição; Molecular biology; Medicine (miscellaneous); Medicina veterinaria; Medicina iii; Medicina ii; Medicina i; Materiais; Interdisciplinar; Inorganic chemistry; Geociências; Farmacia; Engenharias iv; Engenharias ii; Engenharias i; Educação física; Computer science applications; Ciências biológicas iii; Ciências biológicas ii; Ciências biológicas i; Ciências ambientais; Ciências agrárias i; Ciência de alimentos; Ciência da computação; Chemistry, multidisciplinary; Catalysis; Biotecnología; Biodiversidade; Biochemistry & molecular biology; Astronomia / física

Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/

Adreça de correu electrònic de l'autor: yannick.rosello@urv.cat; yannick.rosello@urv.cat

Data d'alta del registre: 2025-02-18

Versió de l'article dipositat: info:eu-repo/semantics/publishedVersion

Enllaç font original: https://www.mdpi.com/1422-0067/22/19/10663

URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/

Referència a l'article segons font original: International Journal Of Molecular Sciences. 22 (19):

Referència de l'ítem segons les normes APA: Benito, M; Rosello, Y; Barcelo-Oliver, M; Frontera, A; Molins, E (2021). Uracil Derivatives for Halogen-Bonded Cocrystals. International Journal Of Molecular Sciences, 22(19), -. DOI: 10.3390/ijms221910663

DOI de l'article: 10.3390/ijms221910663

Entitat: Universitat Rovira i Virgili

Any de publicació de la revista: 2021

Tipus de publicació: Journal Publications