SYNTHESIS, CHARACTERIZATION, THERMAL, X-RAY, AND DFT ANALYSES OF 6-TERT-BUTYL 3-ETHYL 2-[(3-METHOXY/5-BROMO)-2-HYDROXY AND (3-NITRO/3-METHOXY)BENZYLIDENEAMINO]- 4,5-DIHYDROTHIENO[2,3-C]PYRIDINE-3,6(7H)-DICARBOXYLATE

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dc.authorwosidBULDURUN, Kenan / AAD-5162-2019
dc.contributor.authorÇolak, Naki
dc.contributor.authorKarayel, Arzu
dc.contributor.authorBuldurun, Kenan
dc.contributor.authorTuran, Nevin
dc.date.accessioned2021-11-01T15:05:33Z
dc.date.available2021-11-01T15:05:33Z
dc.date.issued2021
dc.department[Belirlenecek]
dc.description.abstractIn this work, 6-tert-butyl 3-ethyl 2-amino-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate is synthesized from starting tert-butyl 4-oxopiperidine-1-carboxylate, ethyl cyanomalonate, and sulfur, and then, coupled with same aromatic aldehyde affords the corresponding Schiff base compounds. These compounds (2a-d) are characterized using FTIR, H-1 and C-13 NMR spectroscopic methods. The crystal and molecular structure of (E)-6-tert-butyl 3-ethyl 2-((2-hydroxy-3-methoxybenzylidene)amino)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate (2a) is characterized by the X-ray crystallographic analysis. Compound 2a crystallizes in the monoclinic space group P2(1)/c. The molecular and crystal structure is stabilized by two O-HMIDLINE HORIZONTAL ELLIPSISN and O-HMIDLINE HORIZONTAL ELLIPSISO intramolecular hydrogen bonds (OMIDLINE HORIZONTAL ELLIPSISN and OMIDLINE HORIZONTAL ELLIPSISO are 2.598(5) angstrom and 2.990(5) angstrom, respectively; O-HMIDLINE HORIZONTAL ELLIPSISN = 147 degrees and O-HMIDLINE HORIZONTAL ELLIPSISO = 134 degrees). According to DFT, compound 2d also shows the intramolecular hydrogen bonding, while there is no this type of interaction in compound 2b and 2c.
dc.description.sponsorshipAksaray University Science and Technology Application and Research Center, Aksaray, TurkeyAksaray University [2010K120480]en_US
dc.description.sponsorshipThe authors acknowledge the Aksaray University Science and Technology Application and Research Center, Aksaray, Turkey, for the use of the Bruker SMART BREEZE CCD diffractometer (purchased under grant No. 2010K120480 of the State of Planning Organization). The numerical calculations reported in this paper were fully performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA resources).; Crystallographic structural data for the 2a molecule have been deposited with the Cambridge Crystallographic Data Centre (CCDC 1971145 deposition number).en_US
dc.identifier.doi10.1134/S0022476621010054
dc.identifier.endpage46en_US
dc.identifier.issn0022-4766
dc.identifier.issn1573-8779
dc.identifier.issue1en_US
dc.identifier.scopus2-s2.0-85100940836
dc.identifier.scopusqualityQ3
dc.identifier.startpage37en_US
dc.identifier.urihttps://doi.org/10.1134/S0022476621010054
dc.identifier.urihttps://hdl.handle.net/11491/7319
dc.identifier.volume62en_US
dc.identifier.wosWOS:000618238700005
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorKarayel, Arzu
dc.language.isoen
dc.publisherPleiades Publishing Inc
dc.relation.ispartofJournal Of Structural Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectheterocyclic amineen_US
dc.subjectSchiff baseen_US
dc.subjectDFTen_US
dc.subjectX-rayen_US
dc.titleSYNTHESIS, CHARACTERIZATION, THERMAL, X-RAY, AND DFT ANALYSES OF 6-TERT-BUTYL 3-ETHYL 2-[(3-METHOXY/5-BROMO)-2-HYDROXY AND (3-NITRO/3-METHOXY)BENZYLIDENEAMINO]- 4,5-DIHYDROTHIENO[2,3-C]PYRIDINE-3,6(7H)-DICARBOXYLATE
dc.typeArticle

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