Investigation of the Molecular Structure of (E)-2-Bromo-6-[(4-bromo-2-methylphenylimino)methyl]-4-chlorophenol

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dc.authoridKastas, Gokhan/0000-0002-5956-405X
dc.authoridERSANLI, CEM CUNEYT/0000-0002-8113-5091
dc.authoridAlbayrak kastas, Cigdem/0000-0003-0235-7460
dc.contributor.authorKastas, G.
dc.contributor.authorKastas, C. Albayrak
dc.contributor.authorErsanli, C. C.
dc.contributor.authorKirca, B. Kosar
dc.date.accessioned2025-03-23T19:31:39Z
dc.date.available2025-03-23T19:31:39Z
dc.date.issued2020
dc.departmentSinop Üniversitesi
dc.description.abstractIn this study, the molecular structure of (E)-2-bromo-6-[(4-bromo-2-methylphenylimino)methyl]-4-chlorophenol has been investigated using crystallographic (XRD), spectroscopic (UV-vis, NMR), and computational (DFT, HOMA) methods. The refinement parameters in XRD study supports the preference of phenol-imine form by the compound in solid state. The analysis of HOMA indices indicates that C1/C6 ring (tautomeric ring) deviates slightly from the aromaticity while the C8/C13 ring preserves its aromaticity in solid state. For the solvent-media dependence of the tautomerism, UV-vis and NMR spectra of the compound were investigated. It is found that the compound prefers only phenol-imine form in solvent media as in the case of solid state.
dc.description.sponsorshipSinop University Scientific Research Coordination Unit [FEF-1901-13-07]
dc.description.sponsorshipThis work was supported by Sinop University Scientific Research Coordination Unit. Project no. FEF-1901-13-07. The authors acknowledge to Scientific and Technological Research Application and Research Center, Sinop University, Turkey, for the use of the Bruker D8 QUEST diffractometer.
dc.identifier.doi10.1134/S1063774520030153
dc.identifier.endpage467
dc.identifier.issn1063-7745
dc.identifier.issn1562-689X
dc.identifier.issue3
dc.identifier.scopus2-s2.0-85085490202
dc.identifier.scopusqualityQ4
dc.identifier.startpage463
dc.identifier.urihttps://doi.org/10.1134/S1063774520030153
dc.identifier.urihttps://hdl.handle.net/11486/5328
dc.identifier.volume65
dc.identifier.wosWOS:000536643700028
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherPleiades Publishing Inc
dc.relation.ispartofCrystallography Reports
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectSolid-State
dc.subjectPhotochromism
dc.subjectTautomerism
dc.subjectCrystal
dc.subjectProton
dc.titleInvestigation of the Molecular Structure of (E)-2-Bromo-6-[(4-bromo-2-methylphenylimino)methyl]-4-chlorophenol
dc.typeArticle

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