Synthesis, Crystal Structure and Theoretical Characterization of (3R, 4R, 6S)-3,6-Dihydroxy-1-Menthene Isolated from Echinophora Tenuifolia

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dc.authoridERSANLI, CEM CUNEYT/0000-0002-8113-5091
dc.authoridAkkurt, Mehmet/0000-0003-2421-0929
dc.authoridaksit, Huseyin/0000-0002-1509-851X
dc.authoridErenler, Ramazan/0000-0002-0505-3190
dc.contributor.authorCelik, Ismail
dc.contributor.authorErsanli, Cem Cuneyt
dc.contributor.authorAkkurt, Mehmet
dc.contributor.authorAksit, Huseyin
dc.contributor.authorErenler, Ramazan
dc.date.accessioned2025-03-23T19:48:38Z
dc.date.available2025-03-23T19:48:38Z
dc.date.issued2016
dc.departmentSinop Üniversitesi
dc.description.abstractIn the title compound, C10H18O2, the cyclohexene ring adopts a half-chair conformation. In the crystal strcuture, weak inter(sic)molecular O-H center dot center dot center dot O hydrogen bonds connect the adjacent molecules, forming edge-fused R23(8) ring motifs, into the hollow columns parallel to the b-axis direction. The crystal packing is governed only by van der Waals inter(sic)actions. There is no further C-H center dot center dot center dot pi and pi-pi interactions. The H atom in one of two hydroxyl groups was found to be disordered over two sites. The occupancy factors of the two sites were refined to 0.52 (2) and 0.48 (2). Semi-empirical PM3 quantum chemical calculations are in satisfactory agreement with the results of the X-ray structure analysis.
dc.description.sponsorshipScientific Research Project Fund of Cumhuriyet University [F-482]
dc.description.sponsorshipThis work is supported by the Scientific Research Project Fund of Cumhuriyet University under the project number F-482. The authors are indebted to the X-ray laboratory of Sinop University Scientific and Technological Applied and Research Center, Sinop, Turkey, for use of the X-ray diffractometer.
dc.identifier.endpage957
dc.identifier.issn2147-1762
dc.identifier.issue4
dc.identifier.scopus2-s2.0-85006741830
dc.identifier.scopusqualityQ2
dc.identifier.startpage953
dc.identifier.urihttps://hdl.handle.net/11486/7641
dc.identifier.volume29
dc.identifier.wosWOS:000393128900025
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherGazi Univ
dc.relation.ispartofGazi University Journal of Science
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectCrystal structure
dc.subjectcyclohexene ring
dc.subject2-methyl-5-(propan-2-yl)cyclohex-2-ene-1,4-diol
dc.subjectsemi-empirical PM3 quantum chemical calculations
dc.subjectHOMO and LUMO energy levels
dc.titleSynthesis, Crystal Structure and Theoretical Characterization of (3R, 4R, 6S)-3,6-Dihydroxy-1-Menthene Isolated from Echinophora Tenuifolia
dc.typeArticle

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