Work

Crystal structure, Hirshfeld surface and intermolecular interaction energy analysis of the halogen-bonded 1:1 cocrystal 1-bromo-3,5-dinitrobenzene– N , N -dimethylpyridin-4-amine

Year: 2025

Type: article

Abstract: The structure of the 1:1 cocrystal formed between 1-bromo-3,5-dinitrobenzene and N , N -dimethylpyridin-4-amine that features a C—Br...N halogen bond is reported. The cocrystal, C 6 H 3 BrN 2 O 4 ·C 7 H 10 N 2 , crystalizes in the monoclinic space group P 2 1 / c with Z = 4. Hirshfeld surface analysis and intermolecular interaction energies within the cocrystal structure are reported.

Source: Acta Crystallographica Section E Crystallographic Communications

DOI: 10.1107/s2056989025006735

Author: Eric Bosch

Institution: Missouri State University

Language: English

Topic: Crystallography and molecular interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $500

Funders: National Science Foundation, Directorate for Mathematical and Physical Sciences, Division of Chemistry