Synthesis, crystal structure, Hirshfeld surface and crystal void analysis of 4-fluorobenzo[c][1,2,5]selenadiazol-1-ium chloride
Year: 2025
Type: article
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.
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $500
Award: G1308861390
OpenAlex ID: W4407793560