Crystal structure and Hirshfeld surface analysis of diethyl (3aS,3a1R,4S,5S,6R,6aS,7R,9aS)-3a1,5,6,6a-tetrahydro-1H,3H,4H,7H-3a,6:7,9a-diepoxybenzo[de]isochromene-4,5-dicarboxylate

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Sadikhova N. D., Atioǧlu Z., Guliyeva N. A., Podrezova A. G., Nikitina E. V., AKKURT M., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.80, sa.Pt 1, ss.83-87, 2024 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 80 Sayı: Pt 1
  • Basım Tarihi: 2024
  • Doi Numarası: 10.1107/s2056989023010794
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.83-87
  • Anahtar Kelimeler: (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene, (1S,4S)-7-oxabicyclo[2.2.1]heptane, crystal structure, Hirshfeld surface analysis, oxane, weak interactions
  • Erciyes Üniversitesi Adresli: Evet

Özet

In the title compound, C18H22O7, two hexane rings and an oxane ring are fused together. The two hexane rings tend toward a distorted boat conformation, while the tetrahydrofuran and dihydrofuran rings adopt envelope conformations. The oxane ring is puckered. The crystal structure features C - H⋯O hydrogen bonds, which link the molecules into a three-dimensional network. According to a Hirshfeld surface study, H⋯H (60.3%) and O⋯H/H⋯O (35.3%) interactions are the most significant contributors to the crystal packing.