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Crystal structure and Hirshfeld surface analysis of dimethyl (3aS,6R,6aS,7S)-2-(2,2,2-tri­fluoro­acet­yl)-2,3-di­hydro-1H,6H,7H-3a,6:7,9a-di­epoxy­benzo[de]iso­quinoline-3a(1),6a-di­carboxyl­ate

The title mol­ecule, C(18)H(16)F(3)NO(7), comprises a fused cyclic system containing four five-membered (two di­hydro­furan and two tetra­hydro­furan) rings and one six-membered (piperidine) ring. The five-membered di­hydro­furan and tetra­hydro­furan rings adopt envelope conformations, and the six-...

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Detalles Bibliográficos
Autores principales: Atioğlu, Zeliha, Akkurt, Mehmet, Toze, Flavien A. A., Dorovatovskii, Pavel V., Guliyeva, Narmina A., Panahova, Humay M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218921/
https://www.ncbi.nlm.nih.gov/pubmed/30443389
http://dx.doi.org/10.1107/S2056989018014305
Descripción
Sumario:The title mol­ecule, C(18)H(16)F(3)NO(7), comprises a fused cyclic system containing four five-membered (two di­hydro­furan and two tetra­hydro­furan) rings and one six-membered (piperidine) ring. The five-membered di­hydro­furan and tetra­hydro­furan rings adopt envelope conformations, and the six-membered piperidine ring adopts a distorted chair conformation. Intra­molecular O⋯F inter­actions help to stabilize the conformational arrangement. In the crystal structure, mol­ecules are linked by weak C—H⋯O and C—H⋯F hydrogen bonds, forming a three-dimensional network. The Hirshfeld surface analysis confirms the dominant role of H⋯H contacts in establishing the packing.