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

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

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.78, ss.530-535, 2022 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 78
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1107/s2056989022004388
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI)
  • Sayfa Sayıları: ss.530-535
  • Anahtar Kelimeler: crystal structure, C-H center dot center dot center dot O hydrogen bonds, C-H center dot center dot center dot F hydrogen bonds, C-Br center dot center dot center dot pi interactions, C-F center dot center dot center dot pi interactions, pi-pi stacking interactions, Hirshfeld surface analysis, PEROXIDATIVE OXIDATION, CATALYTIC-ACTIVITY, HYDROGEN-BONDS, COMPLEXES, HALOGEN
  • Erciyes Üniversitesi Adresli: Evet

Özet

In the title compound, C14H8Br2FN3O2, the 4-fluorophenyl ring and the nitro-substituted phenyl ring form a dihedral angle of 64.37 (10)degrees. Molecules in the crystal are connected by C-H center dot center dot center dot O and C-H center dot center dot center dot F hydrogen bonds into layers parallel to (011). The crystal packing is consolidated by C-Br center dot center dot center dot pi and C-F center dot center dot center dot pi interactions, as well as by pi-pi stacking interactions. According to a Hirshfeld surface analysis of the crystal structure, the most significant contributions to the crystal packing are from O center dot center dot center dot H/H center dot center dot center dot O (15.0%), H center dot center dot center dot H (14.3%), Br center dot center dot center dot H/H center dot center dot center dot Br (14.2%), C center dot center dot center dot H/H center dot center dot center dot C (10.1%), F center dot center dot center dot H/H center dot center dot center dot F (7.9%), Br center dot center dot center dot Br (7.2%) and Br center dot center dot center dot C/C center dot center dot center dot Br (5.8%) contacts.