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

The title compound, C(20)H(32)O(2) (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 b...

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Detalles Bibliográficos
Autores principales: Çelik, Ísmail, Atioğlu, Zeliha, Aksit, Huseyin, Demirtas, Ibrahim, Erenler, Ramazan, Akkurt, Mehmet
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947494/
https://www.ncbi.nlm.nih.gov/pubmed/29850098
http://dx.doi.org/10.1107/S2056989018005807
Descripción
Sumario:The title compound, C(20)H(32)O(2) (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.

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