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Crystal structure and Hirshfeld surface analysis of dimethyl (1R*,3aS*,3a1 R*,6aS*,9R*,9aS*)-3a1,5,6,9a-tetra-hydro-1H,4H,9H-1,3a:6a,9-di-epoxy-phenalene-2,3-di-carboxyl-ate.


ABSTRACT: The title di-epoxy-phenalene derivative, C17H18O6, comprises a fused cyclic system containing four five-membered rings (two di-hydro-furan and two tetra-hydro-furan) and one six-membered ring (cyclo-hexa-ne). The five-membered di-hydro-furan and tetra-hydro-furan rings adopt envelope conformations, and the six-membered cyclo-hexane ring adopts a distorted chair conformation. Two methyl carboxyl-ate groups occupy adjacent positions (2- and 3-) on a tetra-hydro-furan ring. In the crystal, two pairs of C-H⋯O hydrogen bonds link the mol-ecules to form inversion dimers, enclosing two R 2 2(6) ring motifs, that stack along the a-axis direction and are arranged in layers parallel to the bc plane.

SUBMITTER: Alekseeva KA 

PROVIDER: S-EPMC6509682 | BioStudies | 2019-01-01

REPOSITORIES: biostudies

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