Synthesis, crystal structure and Hirshfeld surface analysis of (3Z)-4-[(4-Amino-1,2,5-oxadiazol-3-yl)amino]-3-bromo-1,1,1-Trifluorobut-3-en-2-one
Acta Crystallographica Section E: Crystallographic Communications, cilt.80, sa.Pt 6, ss.582-585, 2024 (ESCI, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 80 Sayı: Pt 6
- Basım Tarihi: 2024
- Doi Numarası: 10.1107/s2056989024004080
- Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
- Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
- Sayfa Sayıları: ss.582-585
- Anahtar Kelimeler: crystal structure, alpha-haloketone, diaminofurazan, non-covalent interactions, oxadiazole ring, disorder, Hirshfeld surface analysis
- Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
- Erciyes Üniversitesi Adresli: Evet
Özet
In the title compound, C6H4BrF3N4O2, the oxadiazole ring is essentially planar with a maximum deviation of 0.003 (2) A . In the crystal, molecular pairs are connected by N-H N hydrogen bonds, forming dimers with an R22 (8) motif. The dimers are linked into layers parallel to the (104) plane by N-H O hydrogen bonds. In addition, C-O π and C-Br π interactions connect the molecules, forming a three-dimensional network. The F atoms of the trifluoromethyl group are disordered over two sites in a 0.515 (6): 0.485 (6) ratio. The intermolecular interactions in the crystal structure were investigated and quantified using Hirshfeld surface analysis.