Spectroscopic, X-Ray Crystallographic, and Hirshfeld Surface Analyses for the Investigation of Intermolecular Interactions in Carboxamide Hydrazone Hybrids

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dc.authoridhttps://orcid.org/0000-0003-4492-2181
dc.contributor.authorKheder, Nabila A.
dc.contributor.authorSalem, Mostafa E.
dc.contributor.authorSoliman, Saied M.
dc.contributor.authorElhaty, Ismail A.
dc.contributor.authorMahmoud, Naglaa S.
dc.contributor.authorAbdel-Megid, Mohamed
dc.contributor.authorDawood, Kamal M.
dc.date.accessioned2025-08-25T08:36:15Z
dc.date.available2025-08-25T08:36:15Z
dc.date.issued2025
dc.departmentSağlık Bilimleri Fakültesi
dc.description.abstractThe current study reports a convenient synthetic approach to carboxamide hydrazone hybrids 2a, b. Their chemical structures are investigated using infrared, nuclear magnetic resonance, and mass spectroscopies. In addition, the 3D structure of 2a is explored using single-crystal X-ray analysis, while the important intermolecular contacts are described based on the Hirshfeld analysis. Fukui function, highest occupied molecular orbitallowest unoccupied molecular orbital, molecular electrostatic potential, and Mulliken charge analysis reveal distinct electrophilic and nucleophilic regions of hydrazone 2a, and support its stability and moderate chemical reactivity. Their antimicrobial potency is also evaluated against six microbial strains. Compound 2b shows significant antibacterial activity against Staphylococcus aureus compared to Gentamicin.
dc.identifier.doi10.1002/open.202500276
dc.identifier.issn2191-1363
dc.identifier.pmid40754694
dc.identifier.urihttps://hdl.handle.net/11363/10307
dc.identifier.wos001542892900001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.institutionauthorElhaty, Ismail A. M.
dc.institutionauthoridhttps://orcid.org/0000-0003-4492-2181
dc.language.isoen
dc.publisherWILEY-V C H VERLAG GMBH, POSTFACH 101161, 69451 WEINHEIM, GERMANY
dc.relation.ispartofCHEMISTRYOPEN
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectantibacterial activity
dc.subjectantifungal activity
dc.subjectHirshfeld calculations
dc.subjecthydrazone-carboxamide hybrid
dc.subjectintermolecular interactions
dc.subjectX-ray crystal structure
dc.titleSpectroscopic, X-Ray Crystallographic, and Hirshfeld Surface Analyses for the Investigation of Intermolecular Interactions in Carboxamide Hydrazone Hybrids
dc.typeArticle

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