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Crystal Structure and DFT Study of 8-Hydroxy

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dc.authorscopusid37101705000
dc.authorscopusid57201620841
dc.authorscopusid35605979300
dc.contributor.authorHaque Faizi, M.S.
dc.contributor.authorDege, N.
dc.contributor.authorMalysheva, M.L.
dc.date.accessioned2020-06-21T13:19:48Z
dc.date.available2020-06-21T13:19:48Z
dc.date.issued2017
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Haque Faizi] Md Serajul, Department of Chemistry, Sultan Qaboos University, Muscat, Oman; [Dege] Necmi, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Malysheva] Maria L., Department of Chemistry, Taras Shevchenko National University of Kyiv, Kyiv, Ukraineen_US
dc.description.abstractIn the title compound, C<inf>13</inf>H<inf>15</inf>NO<inf>2</inf>, the fused non-aromatic rings of the julolidine moiety adopt envelope conformations. The hydroxy group forms an intramolecular hydrogen bond to the aldehyde O atom, generating an S(6) ring motif. Weak intermolecular C - H⋯O hydrogen bonds help to stabilize the crystal structure. Density functional theory (DFT) optimized structures at the B3LYP/6-311G(d,p) level are compared with the experimentally determined molecular structure in the solid state.en_US
dc.identifier.doi10.1107/S2056989017005886
dc.identifier.endpage794en_US
dc.identifier.issn2056-9890
dc.identifier.pmid28529800
dc.identifier.scopus2-s2.0-85019032584
dc.identifier.scopusqualityQ3
dc.identifier.startpage791en_US
dc.identifier.urihttps://doi.org/10.1107/S2056989017005886
dc.identifier.volume73en_US
dc.identifier.wosWOS:000400944800034
dc.language.isoenen_US
dc.publisherInternational Union of Crystallography 5 Abbey Square Chester CH1 2HUen_US
dc.relation.ispartofActa Crystallographica Section E-Crystallographic Communicationsen_US
dc.relation.journalActa Crystallographica Section E-Crystallographic Communicationsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subject8-Hydroxyjulolidineen_US
dc.subjectCrystal Structureen_US
dc.subjectHydrogen Bondingen_US
dc.subjectJulolidineen_US
dc.titleCrystal Structure and DFT Study of 8-Hydroxyen_US
dc.typeArticleen_US
dspace.entity.typePublication

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