Synthesis, crystal structure, Hirshfeld surface and crystal void analysis of 4-fluorobenzo[<i>c</i>][1,2,5]selenadiazol-1-ium chloride
The asymmetric unit of the title salt, C<sub>6</sub>H<sub>4</sub>FN<sub>2</sub>Se<sup>+</sup>·Cl<sup>-</sup>, contains one planar 4-fluoro-benzo[<i>c</i>][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[<i>c</i>][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 44.80 Å<sup>3</sup> and 5.91%, showing that there is no large cavity in the crystal packing.
Authors
- Atash V. Gurbanov (ORCID: https://orcid.org/0000-0003-1415-8012)
- Alebel N. Belay (ORCID: https://orcid.org/0000-0003-4175-5656)
- Tuncer Hökelek (ORCID: https://orcid.org/0000-0002-8602-4382)
- Khudayar I. Hasanov
- Gunay Z. Mammadova (ORCID: https://orcid.org/0000-0002-6556-0901)
- Tahir A. Javadzade (ORCID: https://orcid.org/0000-0003-3327-4430)
Institutions
- Khazar University (AZ)
- Azerbaijan Medical University (AZ)
- Baku State University (AZ)
- Bahir Dar University (ET)
- Hacettepe University (TR)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-02-20
- DOI
- https://doi.org/10.1107/s2056989025001379
- Citations
- 2
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 1.07
Funders
- Hacettepe Üniversitesi
- Baki Dövlət Universiteti