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Crystal structure and Hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from Sideritis perfoliata.

ABSTRACT: The title compound, C20H32O2 (systematic name: 3-ethenyl-3,4a,7,7,10a-penta-methyl-dodeca-hydro-9H-benzo[f]chromen-9-one), was isolated from Sideritis perfoliata. In the crystal, mol-ecules pack in helical supra-molecular chains along the 21 screw axis running parallel to the a axis, bound by C-H?O hydrogen bonds. These chains are efficiently inter-locked in the other two unit-cell directions via van der Waals inter-actions. Hirshfeld surface analysis shows that van der Waals inter-actions constitute the major contribution to the inter-molecular inter-actions, with H?H contacts accounting for 86.0% of the surface.

SUBMITTER: Celik I

PROVIDER: S-EPMC5947494 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from Sideritis perfoliata.

Çelik Ísmail Í Atioğlu Zeliha Z Aksit Huseyin H Demirtas Ibrahim I Erenler Ramazan R Akkurt Mehmet M

Acta crystallographica. Section E, Crystallographic communications 20180427 Pt 5

The title compound, C20H32O2 (systematic name: 3-ethenyl-3,4a,7,7,10a-penta-methyl-dodeca-hydro-9H-benzo[f]chromen-9-one), was isolated from Sideritis perfoliata. In the crystal, mol-ecules pack in helical supra-molecular chains along the 21 screw axis running parallel to the a axis, bound by C-H⋯O hydrogen bonds. These chains are efficiently inter-locked in the other two unit-cell directions via van der Waals inter-a ...[more]

PMID: 29850098

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