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

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ATİOĞLU Z., AKKURT M., Toze F. A. A., Dorovatovskii P., Guliyeva N. A., Panahova H. M.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.74, pp.1599-1610, 2018 (ESCI) identifier identifier identifier

Abstract

The title molecule, C18H16F3NO7, 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 center dot center dot center dot F interactions help to stabilize the conformational arrangement. In the crystal structure, molecules are linked by weak C-H center dot center dot center dot O and C-H center dot center dot center dot F hydrogen bonds, forming a three-dimensional network. The Hirshfeld surface analysis confirms the dominant role of H center dot center dot center dot H contacts in establishing the packing.