Polymorphism phenomenon of the naphthyl-containing N-salicylidenaniline derivative: syntheses, crystal structures, optical properties, and theoretical calculations

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dc.authoridElizaveta V. Panova / 0009-0002-0379-2296
dc.authoridJulia K. Voronina / 0000-0001-9222-5853
dc.authoridAsmet N. Azizova
dc.authoridÖmer Faruk Tutar / 0000-0002-5146-0811
dc.authoridGhodrat Mahmoudi / 0000-0002-4846-5283
dc.authoridDamir A. Safin / 0000-0002-9080-7072
dc.authorscopusidÖmer Faruk Tutar / 57203095116
dc.authorwosidÖmer Faruk Tutar / AGU-4981-2022
dc.contributor.authorPanova, Elizaveta V.
dc.contributor.authorVoronina, Julia K.
dc.contributor.authorAzizova, Asmet N.
dc.contributor.authorTutar, Ömer Faruk
dc.contributor.authorMahmoudi, Ghodrat
dc.contributor.authorSafin, Damir A.
dc.date.accessioned2025-06-13T08:19:38Z
dc.date.available2025-06-13T08:19:38Z
dc.date.issued14 Mayıs 2025
dc.departmentİstinye Üniversitesi, Eczacılık Fakültesi, Eczacılık Meslek Bilimleri Bölümü
dc.description.abstractIn the present study, we report on the synthesis and an in-depth investigation of two polymorphic modifications of the naphthyl-containing N-salicylidenaniline derivative, namely N-naphthyl-3-methoxysalicylideneimine (HL). In particular, a direct condensation reaction of 3-methoxysalicylaldehyde with 1-naphthylamine in the ethanolic medium allowed to produce crystals of polymorph I of HL of the monoclinic space group P21/c, while a mixture of HL and Zn(OAc)2 in the ethanolic medium yielded crystals of polymorph II of HL of the orthorhombic space group Pbca upon slow evaporation of the solvent. Furthermore, a solvent-free grinding reaction of 3-methoxysalicylaldehyde with 1-naphthylamine also produced polymorph I of HL. In the literature, a polymorph of HL, crystallized in the monoclinic space group P21/c, was reported; however, this polymorph contains two molecules of HL in the asymmetric unit and was obtained by recrystallization from MeOH. Additionally, in the literature, the other polymorph of the triclinic space group P1̄ with four molecules in the asymmetric unit has also been reported, which was produced through solvent-free grinding or by employing acetonitrile in the recrystallization process. The solids synthesized in this study were characterized using IR and 1H NMR spectroscopy. Their crystal structures and phase purity were determined via single-crystal and powder X-ray diffraction, respectively. The crystal packing of both polymorphs was further analyzed in detail through Hirshfeld surface analysis. To evaluate the optical properties of the compound, diffuse reflectance spectroscopy (solid state) and UV-vis spectroscopy combined with spectrofluorimetry (solution state) were employed. Additionally, density functional theory (DFT) calculations were conducted to provide deeper insights into the structural features and optical behavior of HL. © 2025 The Royal Society of Chemistry.
dc.identifier.citationPanova, E. V., Voronina, J. K., Azizova, A. N., Tutar, Ö. F., Mahmoudi, G., & Safin, D. A. (2025). Polymorphism phenomenon of the naphthyl-containing N-salicylidenaniline derivative: syntheses, crystal structures, optical properties, and theoretical calculations. CrystEngComm, 27(21), 3502-3516.
dc.identifier.doi10.1039/d5ce00191a
dc.identifier.endpage3516
dc.identifier.issn14668033
dc.identifier.issue21
dc.identifier.scopus2-s2.0-105004282609
dc.identifier.scopusqualityQ2
dc.identifier.startpage3502
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-105004282609&doi=10.1039%2fd5ce00191a&origin=inward&txGid=7ba80abd8763cdec80cfaa39693c4d6f
dc.identifier.urihttps://www.webofscience.com/wos/woscc/full-record/WOS:001479369300001
dc.identifier.urihttps://hdl.handle.net/20.500.12713/7305
dc.identifier.volume27
dc.identifier.wosWOS:001479369300001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakScopus
dc.indekslendigikaynakWeb of Science
dc.institutionauthorTutar, Ömer Faruk
dc.institutionauthoridÖmer Faruk Tutar / 0000-0002-5146-0811
dc.language.isoen
dc.publisherRoyal Society of Chemistry
dc.relation.ispartofCrystEngComm
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.titlePolymorphism phenomenon of the naphthyl-containing N-salicylidenaniline derivative: syntheses, crystal structures, optical properties, and theoretical calculations
dc.typeArticle

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