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

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. © 2025 Elsevier B.V., All rights reserved.

Авторы
Shikhaliyev Namiq Q. 1 , Cisterna Jonathan 2 , Gajar Ayten M. 3 , Niyazova Ayten A. 4 , Khalilov Ali N. 4 , Khrustalev Victor N. 5, 6 , Belay Alebel Nibret 7 , Maharramov Abel Mammadali 3
Издательство
International Union of Crystallography
Номер выпуска
Pt 8
Язык
Английский
Страницы
662-666
Статус
Опубликовано
Том
81
Год
2025
Организации
  • 1 Department of Chemical Engineering, Baku Engineering University, Absheron, Azerbaijan
  • 2 Department of Chemistry, Universidad Católica del Norte, Antofagasta, Chile
  • 3 Department of Chemistry, Baku State University, Baku, Azerbaijan
  • 4 Composite Materials Scientific Research Center, Azerbaijan State University of Economics (UNEC), Baku, Azerbaijan
  • 5 RUDN University, Moscow, Russian Federation
  • 6 N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation
  • 7 Department of Chemistry, Bahir Dar University, Bahir Dar, Ethiopia
Ключевые слова
azo compounds; crystal structure; Hirshfeld surface analysis; supramolecular interactions
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