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

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

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.74, pp.1599-1604, 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.