Crystal structure and Hirshfeld surface analysis of 6-bromo-2-(penta­fluoro­phen­yl)-2,3,7,7a-tetra­hydro-3a,6-ep­oxy­isoindol-1(6H)-one

Maslova V. S., Cherepanova V. M., Khrustalev V. N., AKKURT M., Manahelohe G. M., Hasanov K. I., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.82, ss.1052-1056, 2026 (ESCI, Scopus)

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 82
  • Basım Tarihi: 2026
  • Doi Numarası: 10.1107/s2056989026008108
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.1052-1056
  • Anahtar Kelimeler: enanti­omeric crystal, Hirshfeld surface analysis, hydrogen bond, penta­fluoro­phenyl ring, pyrrolidine ring
  • Erciyes Üniversitesi Adresli: Evet

Özet

In the crystal, enanti­omeric mol­ecules of C14H7BrF5NO2 are linked by C—H⋯O hydrogen bonds, forming layers parallel to the (101) plane. In addition, C—H⋯π inter­actions and Br⋯π contacts create layers parallel to the (101) plane. According to Hirshfeld surface analysis, the most important contributions to the crystal packing are F⋯H / H⋯F (32.4%), O⋯H / H⋯O (12.4%), F⋯F (11.5%), Br⋯F / F⋯Br (8.4%) and C⋯H / H⋯C (8.4%) inter­actions.