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
Acta Crystallographica Section E: Crystallographic Communications, vol.80, no.Pt 1, pp.83-87, 2024 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 80 Issue: Pt 1
- Publication Date: 2024
- Doi Number: 10.1107/s2056989023010794
- Journal Name: Acta Crystallographica Section E: Crystallographic Communications
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.83-87
- Keywords: crystal structure, (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene, (1S,4S)-7-oxabicyclo[2.2.1]heptane, oxane, weak interactions, Hirshfeld surface analysis
- Open Archive Collection: AVESIS Open Access Collection
- Erciyes University Affiliated: Yes
Abstract
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.