Synthesis, crystal structure, Hirshfeld surface and crystal void analysis of 4-fluoro-benzo[<i>c</i>][1,2,5]selena-diazol-1-ium chloride.

ABSTRACT: The asymmetric unit of the title salt, C₆H₄FN₂Se⁺·Cl^-, contains one planar 4-fluoro-benzo[c][1,2,5]selena-diazol-1-ium mol-ecular cation and a chloride anion. In the crystal, inter-molecular N-H⋯Cl hydrogen bonds link the 4-fluoro-benzo[c][1,2,5]selena-diazol-1-ium mol-ecules, 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%) inter-actions. The volume of the crystal voids and the percentage of free space were calculated to be 44

SUBMITTER: Gurbanov AV 

PROVIDER: S-EPMC11891591 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature