Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-{2,2-di-bromo-1-[4-(<i>tert</i>-but-yl)phen-yl]ethen-yl}-2-(3,4-di-methyl-phen-yl)diazene.

ABSTRACT: The title azo compound, C₂₀H₂₂Br₂N₂, crystallizes in the triclinic space group P1 (No. 2) with two independent mol-ecules in the asymmetric unit. The mol-ecular structure was analyzed using spectroscopic and crystallographic techniques, confirming the expected configuration and electronic environment. Hirshfeld surface analysis revealed key non-covalent inter-actions 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 inter-molecular inter-actions of this brominated azo compound, which may have potential applications in optoelectronic materials, dyes, and mol-ecular switches.

SUBMITTER: Shikhaliyev NG 

PROVIDER: S-EPMC12326485 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature