Crystal structure and Hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from Sideritis perfoliata
Acta Crystallographica Section E: Crystallographic Communications, vol.74, pp.713-717, 2018 (Scopus)
- Publication Type: Article / Article
- Volume: 74
- Publication Date: 2018
- Doi Number: 10.1107/s2056989018005807
- Journal Name: Acta Crystallographica Section E: Crystallographic Communications
- Journal Indexes: Scopus
- Page Numbers: pp.713-717
- Keywords: crystal structure, cyclohexane rings, helical supramolecular chains, Hirshfeld surface analysis, tetrahydropyran rings
- Ondokuz Mayıs University Affiliated: No
Abstract
The title compound, C20 H32 O2 (systematic name: 3-ethenyl-3,4a,7,7,10a-pentamethyldodecahydro-9H-benzo[f]chromen-9-one), was isolated from Sideritis perfoliata. In the crystal, molecules pack in helical supramolecular chains along the 2 1 screw axis running parallel to the a axis, bound by C - H...O hydrogen bonds. These chains are efficiently interlocked in the other two unit-cell directions via van der Waals interactions. Hirshfeld surface analysis shows that van der Waals interactions constitute the major contribution to the intermolecular interactions, with H...H contacts accounting for 86.0% of the surface.