Articles producció científicaQuímica Física i Inorgànica

Uracil Derivatives for Halogen-Bonded Cocrystals

  • Identification data

    Identifier:  imarina:9230605
    Handle: https://hdl.handle.net/20.500.11797/imarina9230605
    Authors:  Benito, M; Rosello, Y; Barcelo-Oliver, M; Frontera, A; Molins, E
    Abstract:
    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>

  • Others:

    Link to the original source: https://www.mdpi.com/1422-0067/22/19/10663
    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
    Paper original source: International Journal Of Molecular Sciences. 22 (19):
    Article's DOI: 10.3390/ijms221910663
    Journal publication year: 2021
    Entity: Universitat Rovira i Virgili
    Paper version: info:eu-repo/semantics/publishedVersion
    Record's date: 2025-02-18
    URV's Author/s: Rosello Marin, Yannick
    Department: Química Física i Inorgànica
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Publication Type: Journal Publications
    Author, as appears in the article.: Benito, M; Rosello, Y; Barcelo-Oliver, M; Frontera, A; Molins, E
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    Thematic Areas: 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
    Author's mail: yannick.rosello@urv.cat, yannick.rosello@urv.cat

  • Keywords:

    Thymine
    Nucleobases
    Noncovalent interactions
    Molecular recognition
    Mechanochemistry
    Dft
    Crystal engineering
    Crystal
    Cocrystal
    Biochemistry & Molecular Biology
    Catalysis
    Chemistry
    Multidisciplinary
    Computer Science Applications
    Inorganic Chemistry
    Medicine (Miscellaneous)
    Molecular Biology
    Organic Chemistry
    Physical and Theoretical Chemistry
    Spectroscopy
    Zootecnia / recursos pesqueiros
    Saúde coletiva
    Química
    Psicología
    Odontología
    Nutrição
    Medicina veterinaria
    Medicina iii
    Medicina ii
    Medicina i
    Materiais
    Interdisciplinar
    Geociências
    Farmacia
    Engenharias iv
    Engenharias ii
    Engenharias i
    Educação física
    Ciências biológicas iii
    Ciências biológicas ii
    Ciências biológicas i
    Ciências ambientais
    Ciências agrárias i
    Ciência de alimentos
    Ciência da computação
    Biotecnología
    Biodiversidade
    Astronomia / física

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