Crystal structure and Hirshfeld surface analysis of dieth-yl (3a S ,3 a 1 R ,4 S ,5 S ,6 R ,6a S ,7 R ,9a S )-3a1,5,6,6a-tetra-hydro-1 H ,3 H ,4 H ,7 H -3a,6:7,9a-di-epoxy-benzo[ de ]isochromene-4,5-di-carboxyl-ate

In the title compound, C H O , two hexane rings and an oxane ring are fused together. The two hexane rings tend toward a distorted boat conformation, while the tetra-hydro-furan and di-hydro-furan rings adopt envelope conformations. The oxane ring is puckered. The crystal structure features C-H⋯O hy...

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Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2024-01, Vol.80 (Pt 1), p.83
Main Authors: Sadikhova, Nurlana D, Atioğlu, Zeliha, Guliyeva, Narmina A, Podrezova, Alexandra G, Nikitina, Eugeniya V, Akkurt, Mehmet, Bhattarai, Ajaya
Format: Article
Language:English
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Summary:In the title compound, C H O , two hexane rings and an oxane ring are fused together. The two hexane rings tend toward a distorted boat conformation, while the tetra-hydro-furan and di-hydro-furan rings adopt envelope conformations. The oxane ring is puckered. The crystal structure features C-H⋯O hydrogen bonds, which link the mol-ecules into a three-dimensional network. According to a Hirshfeld surface study, H⋯H (60.3%) and O⋯H/H⋯O (35.3%) inter-actions are the most significant contributors to the crystal packing.
ISSN:2056-9890
2056-9890