Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

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dc.authoridSAHIN, ZARIFE SIBEL/0000-0003-2745-7871
dc.contributor.authorColak, Naki
dc.contributor.authorAltiner, Saliha
dc.contributor.authorSahin, Zarife Sibel
dc.contributor.authorGunduzalp, Ayla Balaban
dc.date.accessioned2025-03-23T19:48:38Z
dc.date.available2025-03-23T19:48:38Z
dc.date.issued2017
dc.departmentSinop Üniversitesi
dc.description.abstractHeteroaromatic Schiff base was synthesized by the reaction of 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile with 2,3-dihydroxybenzaldehyde. Titled compound was characterized by elemental analysis, FT-IR, H-1-NMR, C-13/APT-NMR and X-ray diffraction methods. Imine compound was crystallized in triclinic crystal system with space group P-1. Xray studies reveal that our molecule is stabilized by O-H center dot center dot center dot N and C-H center dot center dot center dot O hydrogen bonds and intermolecular pi center dot center dot center dot pi interactions. The molecular structure of Schiff base was optimized by density functional theory (DFT) method using B3LYP/6-311+G(2d, p) quantum set in Gaussian 09W software program. The chemical shifts and geometrical parameters were also computed by the same quantum level and compared with the experimental results of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile.
dc.description.sponsorshipHitit University Research Found [FEF19004.13.001]
dc.description.sponsorshipThis research was funded by Hitit University Research Found Under Project No FEF19004.13.001. The authors acknowledge Scientific and Technological Research Application and Research Center, Sinop University, Turkey, for the use of the Bruker D8-QUEST diffractometer.
dc.identifier.endpage254
dc.identifier.issn2147-1762
dc.identifier.issue3
dc.identifier.scopusqualityQ2
dc.identifier.startpage245
dc.identifier.urihttps://hdl.handle.net/11486/7638
dc.identifier.volume30
dc.identifier.wosWOS:000418815100019
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.language.isoen
dc.publisherGazi Univ
dc.relation.ispartofGazi University Journal of Science
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectSchiff base
dc.subjectCrystal structure
dc.subjectAminothiophenes
dc.subjectGewald methods
dc.subjectDFT method
dc.titleSynthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
dc.typeArticle

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