Crystal structure and Hirshfeld surface analysis of 2-amino-5-bromo-1,3,4-triazol-3-ium chloride monohydrate

Torambetov, Batirbay; AKKURT, MEHMET; Hasanov, Khudayar; Manahelohe, Gizachew; Ashurov, Jamshid; Kadirova, Shakhnoza

doi:10.1107/s2056989026004378

Crystal structure and Hirshfeld surface analysis of 2-amino-5-bromo-1,3,4-triazol-3-ium chloride monohydrate

Torambetov B., AKKURT M., Hasanov K. I., Manahelohe G. M., Ashurov J., Kadirova S.

Acta Crystallographica Section E: Crystallographic Communications, cilt.82, ss.525-529, 2026 (ESCI, Scopus)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 82
Basım Tarihi: 2026
Doi Numarası: 10.1107/s2056989026004378
Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
Sayfa Sayıları: ss.525-529
Anahtar Kelimeler: crystal structure, Hirshfeld surface analysis, hydrogen bonds, van der Waals interactions
Erciyes Üniversitesi Adresli: Evet

Özet

In the title salt, C2H3BrN3S+·Cl- ·H2O, the cation C2H3BrN3S+ cation, the Cl-anion and the water molecule are linked by N-H· · ·Cl, N-H· · ·O and O-H· · ·Cl hydrogen bonds, forming molecular layers parallel to the (002) plane. The crystal packing is further reinforced by van der Waals interactions between these layers but C-H· · ·π and π-π interactions are not observed. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to study the intermolecular interactions.