Investigation of Intermolecular Interactions of 2-Acetoxybenzoic Acid with Hirshfeld Surfaces

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dc.contributor.authorKEBİROĞLU, Mehmet Hanifi
dc.contributor.authorYILMAZ, MÜCAHIT
dc.date.accessioned2025-10-24T18:03:55Z
dc.date.available2025-10-24T18:03:55Z
dc.date.issued2025
dc.departmentMalatya Turgut Özal Üniversitesi
dc.description.abstractIn this study, the crystal structure and intermolecular interactions of acetoxybenzoic acid were analyzed. Through crystal structure analysis, the arrangement of carbon (C), oxygen (O), and hydrogen (H) atoms, along with their chemical bonds, was determined. It was identified that oxygen atoms impart polar character to the molecule and play a significant role in intermolecular interactions, such as hydrogen bonding. Hirshfeld surface analysis, performed using CrystalExplorer software, focused on the interactions of the molecule with solvent molecules. This analysis provided a more comprehensive understanding of molecular interactions and structure. Additionally, properties such as electron density, curvature, and surface shape indices were mapped. The structural and electronic properties of acetoxybenzoic acid were visualized, offering a deeper understanding of its chemical and physical properties. XRD analysis revealed the crystallinity of the molecule and provided detailed insights into the crystal structure through the position of the peaks. This study illuminated the molecular structure and interaction properties of acetoxybenzoic acid, contributing to predictions of reactivity at the molecular level.
dc.identifier.doi10.35193/bseufbd.1481180
dc.identifier.endpage174
dc.identifier.issn2458-7575
dc.identifier.issue1
dc.identifier.startpage167
dc.identifier.trdizinid1315151
dc.identifier.urihttps://doi.org/10.35193/bseufbd.1481180
dc.identifier.urihttps://search.trdizin.gov.tr/tr/yayin/detay/1315151
dc.identifier.urihttps://hdl.handle.net/20.500.12899/2513
dc.identifier.volume12
dc.indekslendigikaynakTR-Dizin
dc.language.isoen
dc.relation.ispartofBilecik Şeyh Edebali Üniversitesi Fen Bilimleri Dergisi
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzTR-Dizin_20251023
dc.subjectXRD
dc.subjectAcetoxybenzoic Acid
dc.subjectCrystal Structure Analysis
dc.subjectHirshfeld Surface Analysis
dc.titleInvestigation of Intermolecular Interactions of 2-Acetoxybenzoic Acid with Hirshfeld Surfaces
dc.typeArticle

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