Crystal structure and Hirshfeld surface analysis of 3-(2-chloro-6-fluorophenyl)-1,5-bis(thiophen-2-yl)pentane-1,5-dione

Gurbanov A. V., AKKURT M., Sadikhova N. D., Manahelohe G. M.

Acta Crystallographica Section E: Crystallographic Communications, cilt.81, ss.1094-1098, 2025 (ESCI, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 81
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1107/s2056989025009284
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.1094-1098
  • Anahtar Kelimeler: 2-chloro-6-fluorophenyl ring, crystal structure, disorder, Hirshfeld surface analysis, thiophene rings
  • Erciyes Üniversitesi Adresli: Evet

Özet

In the title compound, C19H14ClFO2S2, the molecular conformation is stabilized by intramolecular C - H⋯F, C - H⋯Cl and C - H⋯O hydrogen bonds. In the crystal, the molecules are linked into [010] chains by C - H⋯O hydrogen bonds, creating a C(6) motif and weak C - H⋯F and C - H⋯Cl interactions link these chains into sheets parallel to the (100) plane. The entire -C6H3FCl group is disordered over two positions in a 0.931(4):0.069(4) ratio. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (26.7%), C⋯H/H⋯C (17.2%), S⋯H/H⋯S (15.0%) and O⋯H/H⋯O (12.0%) interactions.