Synthesis, crystal structure, Hirshfeld surface and crystal void analysis of 4-fluorobenzo[c][1,2,5]- selenadiazol-1-ium chloride

Abstract

The asymmetric unit of the title salt, C6H4FN2Se+·Cl−, contains one planar 4-fluorobenzo[c][1,2,5]selenadiazol-1-ium molecular cation and a chloride anion. In the crystal, intermolecular N—H⋯Cl hydrogen bonds link the 4-fluorobenzo[c][1,2,5]selenadiazol-1-ium molecules, which are arranged in parallel layers along (104), to the chloride anions. The cationic layers, in turn, are stacked along [001]. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯Cl/Cl⋯H (22.6%), H⋯F/F⋯H (13.9%), H⋯N/N⋯H (11.9%), H⋯C/C⋯H (10.2%) and H⋯H (7.7%) interactions. The volume of the crystal voids and the percentage of free space were calculated to be 44.80 Å3 and 5.91%, showing that there is no large cavity in the crystal packing.