Crystal structure and Hirshfeld surface analysis of dimethyl (1R*, 3aS*, 3a(1)R*, 6aS*, 9R*, 9aS*)-3a(1),5,6,9a-tetrahydro-1H,4H,9H-1,3a:6a,9-diepoxyphenalene-2,3-dicarboxylate


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Alekseeva K. A. , Raspertov P., Celikesir S. T. , AKKURT M. , Toze F. A. A. , Sorokina E. A.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.75, pp.460-470, 2019 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 75
  • Publication Date: 2019
  • Doi Number: 10.1107/s2056989019003499
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Page Numbers: pp.460-470

Abstract

The title diepoxyphenalene derivative, C17H18O6, comprises a fused cyclic system containing four five-membered rings (two dihydrofuran and two tetrahydrofuran) and one six-membered ring (cyclohexane). The five-membered dihydrofuran and tetrahydrofuran rings adopt envelope conformations, and the six-membered cyclohexane ring adopts a distorted chair conformation. Two methyl carboxylate groups occupy adjacent positions (2- and 3-) on a tetrahydrofuran ring. In the crystal, two pairs of C-H center dot center dot center dot O hydrogen bonds link the molecules 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.