Crystal structure and Hirshfeld surface analysis of (E)-1-{2,2-dibromo-1-[4-(tert-butyl)phenyl]ethenyl}-2-(3,4-dimethylphenyl)diazene

Shikhaliyev N. G., Cisterna J., Gajar A. M., NİYAZOVA A., XƏLİLOV Ə., Khrustalev V. N., ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.81, no.Pt 8, pp.662-666, 2025 (ESCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 81 Issue: Pt 8
  • Publication Date: 2025
  • Doi Number: 10.1107/s2056989025005390
  • Journal Name: Acta Crystallographica Section E: Crystallographic Communications
  • Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
  • Page Numbers: pp.662-666
  • Keywords: azo compounds, crystal structure, Hirshfeld surface analysis, supramolecular interactions
  • Open Archive Collection: Article
  • Azerbaijan State University of Economics (UNEC) Affiliated: Yes

Abstract

The title azo compound, C20H22Br2N2, crystallizes in the triclinic space group P1 (No. 2) with two independent molecules in the asymmetric unit. The molecular structure was analyzed using spectroscopic and crystallographic techniques, confirming the expected configuration and electronic environment. Hirshfeld surface analysis revealed key non-covalent interactions such as C—H· · ·π, C—H· · ·Br, π–π stacking, and halogen bonding, which consolidate the crystal structure. The study provides valuable insights into the structural features and intermolecular interactions of this brominated azo compound, which may have potential applications in optoelectronic materials, dyes, and molecular switches.