Synthesis, crystal structure, Hirshfeld surface and crystal void analysis of 4-fluorobenzo[<i>c</i>][1,2,5]-selenadiazol-1-ium chloride
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.81, ss.252-256, 2025 (ESCI, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 81
- Basım Tarihi: 2025
- Doi Numarası: 10.1107/s2056989025001379
- Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
- Sayfa Sayıları: ss.252-256
- Hacettepe Üniversitesi Adresli: Evet
Özet
The asymmetric unit of the title salt, C6H4FN2Se+ center dot 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 center dot center dot center dot 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 center dot center dot center dot Cl/Cl center dot center dot center dot H (22.6%), H center dot center dot center dot F/F center dot center dot center dot H (13.9%), H center dot center dot center dot N/N center dot center dot center dot H (11.9%), H center dot center dot center dot C/C center dot center dot center dot H (10.2%) and H center dot center dot center dot H (7.7%) interactions. The volume of the crystal voids and the percentage of free space were calculated to be 44.80 angstrom(3) and 5.91%, showing that there is no large cavity in the crystal packing.