Two new benzamides: Synthesis, spectroscopic characterization, X-ray diffraction, and electronic structure analyses

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dc.authoridCAKMAK, Sukriye/0000-0002-2221-0098
dc.authoridYAKAN, HASAN/0000-0002-4428-4696
dc.contributor.authorKirca, Basak Kosar
dc.contributor.authorCakmak, Sukriye
dc.contributor.authorYakan, Hasan
dc.contributor.authorOdabasoglu, Mustafa
dc.contributor.authorBuyukgungor, Orhan
dc.contributor.authorKutuk, Halil
dc.date.accessioned2025-03-23T19:39:27Z
dc.date.available2025-03-23T19:39:27Z
dc.date.issued2020
dc.departmentSinop Üniversitesi
dc.description.abstractThis work includes the syntheses, molecular and electronic structure analyses of two novel secondary amide compounds 3-acetoxy-2-methyl-N-(2-methoxyphenyl)benzamide, 1 and 3-acetoxy-2-methyl-N-(3-methylphenyl)benzamide, 2. The title compounds were characterized by X-ray single crystal diffraction, FT-IR, H-1 NMR and (CNMR)-C-13-N- techniques and quantum chemical calculations were used for the investigations on electronic structure. X-ray diffraction analyses show that both compounds 1 and 2 crystallized in the triclinic system with space group P-1. While the characteristic amide bands were observed in IR and NMR spectra, crystallographic studies indicate that the supramolecular structures were stabilized by intramolecular and intermolecular hydrogen bonds and C-H center dot center dot center dot pi interactions for both compounds. Beside the experimental studies, natural bond orbital and molecular electrostatic potential analyses were carried out to understand the intramolecular charge transfers and hydrogen bonding behaviors of compounds. (C) 2019 Elsevier B.V. All rights reserved.
dc.description.sponsorshipOndokuz Mayis University [PYO.FEN.1904.12.007]
dc.description.sponsorshipWe would like to thank Ondokuz Mayis University (Grant No. PYO.FEN.1904.12.007) for its financial support of this work.
dc.identifier.doi10.1016/j.molstruc.2019.127314
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85075872045
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2019.127314
dc.identifier.urihttps://hdl.handle.net/11486/6363
dc.identifier.volume1203
dc.identifier.wosWOS:000504448700008
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectSecondary amides
dc.subjectNon-covalent interactions
dc.subjectSpectroscopic techniques
dc.subjectX-ray diffraction
dc.subjectElectronic structure
dc.titleTwo new benzamides: Synthesis, spectroscopic characterization, X-ray diffraction, and electronic structure analyses
dc.typeArticle

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