Acta Crystallographica Section E: Crystallographic Communications, vol.78, pp.530-535, 2022 (ESCI)
Article / Article
Acta Crystallographica Section E: Crystallographic Communications
Emerging Sources Citation Index (ESCI), Scopus
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
Kayseri University Affiliated:
© 2022 International Union of Crystallography. All rights reserved.In the title compound, C14H8Br2FN3O2, the 4-fluorophenyl ring and the nitro-substituted phenyl ring form a dihedral angle of 64.37 14;(10)°. Molecules 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 interactions, as well as by π-π stacking interactions. 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.