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dc.contributor.authorCelik, Ismail
dc.contributor.authorErsanli, Cem Cuneyt
dc.contributor.authorAkkurt, Mehmet
dc.contributor.authorAksit, Huseyin
dc.contributor.authorErenler, Ramazan
dc.date.accessioned2019-07-27T12:10:23Z
dc.date.accessioned2019-07-28T09:46:13Z
dc.date.available2019-07-27T12:10:23Z
dc.date.available2019-07-28T09:46:13Z
dc.date.issued2016
dc.identifier.issn2147-1762
dc.identifier.urihttps://hdl.handle.net/20.500.12418/7485
dc.descriptionWOS: 000393128900025en_US
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.en_US
dc.description.sponsorshipScientific Research Project Fund of Cumhuriyet University [F-482]en_US
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.en_US
dc.language.isoengen_US
dc.publisherGAZI UNIVen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectCrystal structureen_US
dc.subjectcyclohexene ringen_US
dc.subject2-methyl-5-(propan-2-yl)cyclohex-2-ene-1,4-diolen_US
dc.subjectsemi-empirical PM3 quantum chemical calculationsen_US
dc.subjectHOMO and LUMO energy levelsen_US
dc.titleSynthesis, Crystal Structure and Theoretical Characterization of (3R, 4R, 6S)-3,6-Dihydroxy-1-Menthene Isolated from Echinophora Tenuifoliaen_US
dc.typearticleen_US
dc.relation.journalGAZI UNIVERSITY JOURNAL OF SCIENCEen_US
dc.contributor.department[Celik, Ismail] Cumhuriyet Univ, Dept Phys, Fac Sci, TR-58140 Sivas, Turkey -- [Ersanli, Cem Cuneyt] Sinop Univ, Fac Arts & Sci, Dept Phys, TR-57010 Sinop, Turkey -- [Akkurt, Mehmet] Erciyes Univ, Dept Phys, Fac Sci, TR-38039 Kayseri, Turkey -- [Aksit, Huseyin -- Erenler, Ramazan] Gaziosmanpasa Univ, Fac Art & Sci, Dept Chem, Tasliciftlik Campus, TR-60240 Tokat, Turkeyen_US
dc.contributor.authorIDHokelek, Tuncer -- 0000-0002-8602-4382; Erenler, Ramazan -- 0000-0002-0505-3190en_US
dc.identifier.volume29en_US
dc.identifier.issue4en_US
dc.identifier.endpage957en_US
dc.identifier.startpage953en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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