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Crystal structure and Hirshfeld surface analysis of ( E )-1-[2,2-di-bromo-1-(4-nitro-phen-yl)ethen-yl]-2-(4-fluoro-phen-yl)diazene.

Zeliha AtioğluMehmet AkkurtNamiq Q ShikhaliyevNaila A MammadovaGulnara V BabayevaVictor N KhrustalevAjaya Bhattarai
Published in: Acta crystallographica. Section E, Crystallographic communications (2022)
In the title compound, C 14 H 8 Br 2 FN 3 O 2 , the 4-fluoro-phenyl ring and the nitro-substituted phenyl ring form a dihedral angle of 64.37 (10)°. Mol-ecules in the crystal are connected by C-H⋯O and C-H⋯F hydrogen bonds into layers parallel to (011). The crystal packing is consolidated by C-Br⋯π and C-F⋯π inter-actions, as well as by π-π stacking inter-actions. According to a Hirshfeld surface analysis of the crystal structure, the most significant contributions to the crystal packing are from O⋯H/H⋯O (15.0%), H⋯H (14.3%), Br⋯H/H⋯Br (14.2%), C⋯H/H⋯C (10.1%), F⋯H/H⋯F (7.9%), Br⋯Br (7.2%) and Br⋯C/C⋯Br (5.8%) contacts.
Keyphrases
  • crystal structure
  • positron emission tomography
  • mass spectrometry