Publication:
Crystal Structure of 2-Ethyl

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dc.authorscopusid40461516300
dc.authorscopusid6602801811
dc.authorscopusid7003363958
dc.contributor.authorKorkmaz, U.
dc.contributor.authorBulut, İ.
dc.contributor.authorBulut, A.
dc.date.accessioned2020-06-21T13:32:45Z
dc.date.available2020-06-21T13:32:45Z
dc.date.issued2016
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Korkmaz] Ufuk, Department of Physics, Ondokuz Mayis University Faculty of Science and Arts, Samsun, Turkey; [Bulut] Iclal, Ondokuz Mayis University Faculty of Science and Arts, Samsun, Turkey; [Bulut] Ahmet, Department of Physics, Ondokuz Mayis University Faculty of Science and Arts, Samsun, Turkeyen_US
dc.description.abstractIn the title inner salt molecule, C<inf>10</inf>H<inf>10</inf>N<inf>2</inf>O<inf>3</inf>, the four-membered cyclobutene ring is twisted by 7.1 (2)° with respect to the five-membered imidazole ring. The crystal packing exhibits an R<inf>2</inf><inf>2</inf>(9) hydrogen-bonding ring motif through N- H⋯O and C-H⋯O interactions. The potential non-linear optical properties were studied by a computational ab initio calculations performed at the DFT/ B3LYP/6-31++G(d,p) level of theory.en_US
dc.identifier.doi10.1107/S2056989016009725
dc.identifier.endpage1001en_US
dc.identifier.issn2056-9890
dc.identifier.pmid27555949
dc.identifier.scopus2-s2.0-84983751434
dc.identifier.scopusqualityQ3
dc.identifier.startpage998en_US
dc.identifier.urihttps://doi.org/10.1107/S2056989016009725
dc.identifier.volume72en_US
dc.identifier.wosWOS:000379329900028
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.subjectCrystal Structureen_US
dc.subjectHydrogen Bondingen_US
dc.subjectNonlinear Optical Propertiesen_US
dc.subjectQuantum Chemical Calculationsen_US
dc.subjectSquareneen_US
dc.titleCrystal Structure of 2-Ethylen_US
dc.typeArticleen_US
dspace.entity.typePublication

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