Crystal structure, Hirshfeld surface and intermolecular interaction energy analysis of the halogen-bonded 1:1 cocrystal 1-bromo-3,5-dinitrobenzene–<i>N</i>,<i>N</i>-dimethylpyridin-4-amine
The structure of the 1:1 cocrystal formed between 1-bromo-3,5-di-nitro-benzene and <i>N</i>,<i>N</i>-di-methyl-pyridin-4-amine that features a C-Br⋯N halogen bond is reported. The cocrystal, C<sub>6</sub>H<sub>3</sub>BrN<sub>2</sub>O<sub>4</sub>·C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>, crystalizes in the monoclinic space group <i>P</i>2<sub>1</sub>/<i>c</i> with <i>Z</i> = 4. Hirshfeld surface analysis and inter-molecular inter-action energies within the cocrystal structure are reported.
Authors
- Eric Bosch (ORCID: https://orcid.org/0000-0002-6465-1879)
Institutions
- Missouri State University (US)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-07-30
- DOI
- https://doi.org/10.1107/s2056989025006735
- Primary Topic
- Crystallography and molecular interactions
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Science Foundation
- Directorate for Mathematical and Physical Sciences
- Division of Chemistry