Synthesis, spectroscopic studies, crystal structure and conformation analysis of N-(2-fluoro-3-methoxy)-salicylaldimine

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dc.contributor.authorÜnver, H.
dc.contributor.authorKendi, E.
dc.contributor.authorGüven, K.
dc.contributor.authorDurlu, T.N.
dc.date.accessioned2020-06-25T17:35:02Z
dc.date.available2020-06-25T17:35:02Z
dc.date.issued2002
dc.departmentKırıkkale Üniversitesi
dc.descriptionUnver, Huseyin/0000-0003-3968-4385
dc.description.abstractThe new Schiff base ligand N-(2-fluoro-3-methoxy)-salicylaldimine (C14H12NO2F) (1) has been synthesised and studied by using, IR, H-1 NMR, C-13 NMR, UV-visible, GGMS techniques, X-ray structure analysis and AM1 semi-empirical quantum mechanical methods. Compound I crystallises in the orthorhombic space group P2(1)2(1)2(1) with a = 12.5461(1), b = 18.0495(1), c = 5.2615(1) Angstrom. An intramolecular hydrogen bond connects O1 and N1 [2.575(2) Angstrom], the hydrogen atom being bonded essentially to the oxygen atom. Minimum energy conformations were calculated as a function of two torsion angles theta(1) (C6-C7-C8-N1) and theta(2) (C7-C8-N1-C9), varied every 10 degrees. The optimized geometry of the crystal structure corresponding to the non-planar conformation is the most stable conformation in all calculations. The results strongly indicate that the minimum energy conformation is primarily determined by hydrogen-hydrogen repulsions between the ortho-hydrogen atoms on the aldehyde rings. Complementary IR, H-1 NMR and UV measurements in solution and in the solid state were carried out.en_US
dc.identifier.citationclosedAccessen_US
dc.identifier.endpage690en_US
dc.identifier.issn0932-0776
dc.identifier.issn1865-7117
dc.identifier.issue6en_US
dc.identifier.startpage685en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12587/3001
dc.identifier.volume57en_US
dc.identifier.wosWOS:000178049100015
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.language.isoen
dc.publisherWalter De Gruyter Gmbhen_US
dc.relation.ispartofZeitschrift Fur Naturforschung Section B-A Journal Of Chemical Sciences
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectSchiff baseen_US
dc.subjectconformational analysisen_US
dc.titleSynthesis, spectroscopic studies, crystal structure and conformation analysis of N-(2-fluoro-3-methoxy)-salicylaldimineen_US
dc.typeArticle

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