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

Acta Crystallographica Section E: Crystallographic Communications

Ramazan Erenler¹  Ibrahim Demirtas²  Ísmail Çelik³  Mehmet Akkurt⁴  Huseyin Aksit⁵  Zeliha Atioğlu⁶ 

[1] Department of Chemistry, Faculty of Arts and Sciences, Gaziosmanpasa University, 60240 Tokat, Turkey;Department of Chemistry, Faculty of Natural Sciences, Cankiri Karatekin University, 18100 Cankiri, Turkey;Department of Physics, Faculty of Sciences, Cumhuriyet University, 58140 Sivas, Turkey;Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey;Erzincan University, Faculty of Pharmacy, 24100 Erzincan, Turkey;İlke Education and Health Foundation, Cappadocia University, Cappadocia Vocational College, The Medical Imaging Techniques Program, 50420 Mustafapaşa, Ürgüp, Nevşehir, Turkey;

关键词: crystal structure;    cyclohexane rings;    tetrahydropyran rings;    helical supramolecular chains;    Hirshfeld surface analysis;   

DOI  :  10.1107/S2056989018005807

来源: DOAJ

【 摘 要 】

The title compound, C20H32O2 (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 21 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.

【 授权许可】

Unknown