Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-dibromo-1-(2-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene

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Celikesir S. T., AKKURT M., Shikhaliyev N. Q., Mammadova N. A., Suleymanova G. T., Khrustalev V. N., ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.78, pp.404-408, 2022 (ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 78
  • Publication Date: 2022
  • Doi Number: 10.1107/s205698902200278x
  • Journal Name: Acta Crystallographica Section E: Crystallographic Communications
  • Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
  • Page Numbers: pp.404-408
  • Keywords: crystal structure, C-F center dot center dot center dot pi interaction, pi-pi stacking interaction, Hirshfeld surface analysis, INTERMOLECULAR INTERACTIONS, PEROXIDATIVE OXIDATION, QUANTITATIVE-ANALYSIS, COMPLEXES
  • Kayseri University Affiliated: No

Abstract

© 2022.In the title compound, C14H8Br2FN3O2, the nitro-substituted benzene ring and the 4-fluorophenyl ring form a dihedral angle of 65.73(7)°. In the crystal, molecules are linked into chains by C-H..O hydrogen bonds running parallel to the c-axis direction. The crystal packing is consolidated by C-F..π interactions and π-π stacking interactions, and short Br..O [2.9828(13)Å] contacts are observed. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H..H (17.4%), O..H/H..O (16.3%), Br..H/H..Br (15.5%), Br..C/C..Br (10.1%) and F..H/H..F (8.1%) contacts.