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

ArticleAçık Erişim

Özet

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. © Çelik et al. 2018.

Anahtar Kelimeler

crystal structurecyclohexane ringshelical supramolecular chainsHirshfeld surface analysistetrahydropyran rings
RDL Kalıcı Bağlantı (PID)
https://rdlopen.rawdatalibrary.net/r/ebyu/14028Resmi atıflarda kullanılan kalıcı adres
DOI
https://doi.org/10.1107/s2056989018005807Yayıncı resmi DOI adresi
Tam Kayıt
AlanDeğerDil
dc.contributor.authorÇelik, Ísmail
dc.contributor.authorAtioǧlu, Zeliha
dc.contributor.authorAksit, Huseyin
dc.contributor.authorDemirtas, Ibrahim
dc.contributor.authorErenler, Ramazan
dc.contributor.authorAkkurt, Mehmet
dc.date.accessioned2026-10-18T20:28:49.391587209Z
dc.date.available2026-10-18T20:28:49.391587209Z
dc.date.issued2018
dc.description.abstractThe 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. © Çelik et al. 2018.
dc.description.sponsorshipFunding text 1: This work was supported by the Research Fund of the Scientific Research Project Fund of Cumhuriyet University; Funding text 2: [Project No. F-567 (CUBAP, Sivas, Turkey)]. The authors gratefully acknowledge the financial support received from the Scientific Research Project Fund of Cumhuriyet University.
dc.identifier.doi10.1107/s2056989018005807
dc.identifier.endpage717
dc.identifier.issn2056-9890
dc.identifier.issuePt 5
dc.identifier.pmcidPMC5947494
dc.identifier.pmid29850098
dc.identifier.scopus2-s2.0-85046715939
dc.identifier.startpage713
dc.identifier.urihttps://rdlopen.rawdatalibrary.net/r/ebyu/14028
dc.identifier.volume74
dc.language.isoen
dc.publisherInternational Union of Crystallography
dc.relation.ispartofActa Crystallographica Section E: Crystallographic Communications
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectcrystal structure
dc.subjectcyclohexane rings
dc.subjecthelical supramolecular chains
dc.subjectHirshfeld surface analysis
dc.subjecttetrahydropyran rings
dc.titleCrystal structure and Hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from Sideritis perfoliata
dc.typeArticle
dspace.entity.typePublication
rdl.citation.scopus3
rdl.departmentErzincan University, Faculty of Pharmacy, 24100 Erzincan, Turkey.
rdl.oa.statusgold
rdl.source.indexSCOPUS
rdl.source.indexPUBMED