The effect of nitrogen atom on double bond pyramidalization

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dc.contributor.authorOzen, R
dc.contributor.authorGuven, K
dc.contributor.authorCan, H
dc.contributor.authorBalci, M
dc.date.accessioned2020-06-25T17:40:06Z
dc.date.available2020-06-25T17:40:06Z
dc.date.issued2004
dc.departmentKırıkkale Üniversitesi
dc.description.abstractThe title compound 6-phenyl-4,6,8-triazatetracyclo[9.2.1.0(2,10).0(4,8)] tetradec-2(10)-ene-5,7-dione ( 6) has been synthesized by the addition of 4-phenyl-1,2,4-triazole-3,5-dione (PTAD) to 2,3-dimethylenebicyclo[2.2.1] heptane. The cell parameters are a = 9.991(5), b = 11.754( 9), c = 6.549( 5) Angstrom, alpha = 101.08( 7)degrees, beta = 103.31( 5)degrees, gamma = 98.24( 5) degrees. The crystal structure of 6 was determined. The obtained geometrical parameters were highly correlated with the DFT calculations. The experimentally determined folding angle of the double bond was found to be 8.44degrees. The effect of the electron-withdrawing ability of nitrogen atom on the degree of pyramidalization is discussed.en_US
dc.identifier.citationclosedAccessen_US
dc.identifier.doi10.1023/B:JOCC.0000035390.96988.db
dc.identifier.endpage481en_US
dc.identifier.issn1074-1542
dc.identifier.issn1572-8854
dc.identifier.issue7en_US
dc.identifier.scopus2-s2.0-3242890761
dc.identifier.scopusqualityQ3
dc.identifier.startpage477en_US
dc.identifier.urihttps://doi.org/10.1023/B:JOCC.0000035390.96988.db
dc.identifier.urihttps://hdl.handle.net/20.500.12587/3272
dc.identifier.volume34en_US
dc.identifier.wosWOS:000222800700012
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer/Plenum Publishersen_US
dc.relation.ispartofJournal Of Chemical Crystallography
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectexocyclic dieneen_US
dc.subjectcycloadditionen_US
dc.subjectab initio calculationsen_US
dc.subjectdouble bond pyramidalizationen_US
dc.subjectX-ray analysisen_US
dc.titleThe effect of nitrogen atom on double bond pyramidalizationen_US
dc.typeArticle

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