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

  • Atash V. Gurbanov
  • , Tuncer Hökelek
  • , Gunay Z. Mammadova
  • , Khudayar I. Hasanov
  • , Tahir A. Javadzade
  • , Alebel N. Belay

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

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 A 3 and 5.91%, showing that there is no large cavity in the crystal packing.

Original languageEnglish
Pages (from-to)252-256
Number of pages5
JournalActa Crystallographica Section E: Crystallographic Communications
Volume81
DOIs
Publication statusPublished - 1 Mar 2025

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