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

Abstract

The title azo compound crystallizes in the triclinic space group P1 with two independent mol­ecules in the asymmetric unit. Hirshfeld surface analysis and energy framework calculations 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 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.