Uracil derivatives for halogen-bonded cocrystals
- 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.
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| Author: | Mónica BenitoORCiDGND, Yannick Roselló, Miquel Barceló-Oliver, Antonio Frontera, Elies Molins |
|---|---|
| URN: | urn:nbn:de:bvb:384-opus4-1044474 |
| Frontdoor URL | https://opus.bibliothek.uni-augsburg.de/opus4/104447 |
| ISSN: | 1422-0067OPAC |
| Parent Title (English): | International Journal of Molecular Sciences |
| Publisher: | MDPI AG |
| Type: | Article |
| Language: | English |
| Year of first Publication: | 2021 |
| Publishing Institution: | Universität Augsburg |
| Release Date: | 2023/05/19 |
| Tag: | Inorganic Chemistry; Organic Chemistry; Physical and Theoretical Chemistry; Computer Science Applications; Spectroscopy; Molecular Biology; General Medicine; Catalysis |
| Volume: | 22 |
| Issue: | 19 |
| First Page: | 10663 |
| DOI: | https://doi.org/10.3390/ijms221910663 |
| Institutes: | Mathematisch-Naturwissenschaftlich-Technische Fakultät |
| Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik | |
| Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
| Licence (German): |  CC-BY 4.0: Creative Commons: Namensnennung (mit Print on Demand) |
