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dc.contributor.authorOezek, Arzu
dc.contributor.authorAlbayrak, Cigdem
dc.contributor.authorOdabaşoğlu, Mustafa
dc.contributor.authorBüyükgüngör, Orhan
dc.date.accessioned2020-06-21T15:06:38Z
dc.date.available2020-06-21T15:06:38Z
dc.date.issued2009
dc.identifier.issn1074-1542
dc.identifier.issn1572-8854
dc.identifier.urihttps://doi.org/10.1007/s10870-008-9483-y
dc.identifier.urihttps://hdl.handle.net/20.500.12712/18664
dc.descriptionYILDIRIM, ARZU OZEK/0000-0002-2185-7009en_US
dc.descriptionWOS: 000264483900008en_US
dc.description.abstractThe crystal structure of C14H12ClNO2 was determined by X-ray analysis. It crystallizes in the triclinic space group Pc with a = 12.5346(10) angstrom, b = 4.5101(3) angstrom, c = 12.0534(11) angstrom, alpha = 90.008, beta = 113.669(6)degrees, gamma = 90.00 degrees, Z = 2, Dx = 1.393 mg/m(3), mu (MoK alpha) = 0.298 mm(-1). The title compound is photochromic and molecule is non-planar. It adopts a phenol-imine tautomeric form with a strong intramolecular O-H center dot center dot center dot N hydrogen bond and a strong intermolecular C-H center dot center dot center dot O hydrogen bond. Minimum energy conformations AM1 were calculated as a function of the three torsion angles theta 1(C10-C9-N1-C8), theta 2(C9-N1-C8-C1) and theta 3(N1-C8-C1-C6), varied every 10 degrees. As in the X-ray experiment results, molecule has an angle that makes it non-planar between two aromatic rings in AM1 optimized geometry.en_US
dc.description.sponsorshipFaculty of Arts and Sciences, Ondokuz Mayis University, TurkeyOndokuz Mayis University; University Research Fund [279]en_US
dc.description.sponsorshipThe authors wish to acknowledge the Faculty of Arts and Sciences, Ondokuz Mayis University, Turkey, for the use of the STOE IPDS 2 diffractometer (purchased under Grant F. 279 of the University Research Fund).en_US
dc.language.isoengen_US
dc.publisherSpringer/Plenum Publishersen_US
dc.relation.isversionof10.1007/s10870-008-9483-yen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectCrystal structureen_US
dc.subjectSchiff baseen_US
dc.subjectPhenol-imineen_US
dc.subjectAM1en_US
dc.subjectConformational analysisen_US
dc.titleCrystallographic and Conformational Analysis of [(E)-2-[(3-Chlorophenylimino)methy])-4-methoxyphenol]en_US
dc.typearticleen_US
dc.contributor.departmentOMÜen_US
dc.identifier.volume39en_US
dc.identifier.issue5en_US
dc.identifier.startpage353en_US
dc.identifier.endpage357en_US
dc.relation.journalJournal of Chemical Crystallographyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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