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OpenAlex topic

Structural and Chemical Analysis of Organic and Inorganic Compounds

This page lists works and academicians tagged with an OpenAlex topic. It is not a YÖKSİS primary or secondary field.

OpenAlex 1,219 works 21 author topics

Works

1,219 works

  1. Exploring the Antimicrobial Potential of 1,3,4-Oxadiazole Derivatives: Synthesis, Characterization, and Activity Against Clinically Significant Pathogens 2026

    The 1,3,4-oxadiazole ring is a structurally stable and pharmacologically active scaffold widely explored in drug discovery. This study presents a practical synthetic approach for 2,5-diaryl-substituted 1,3,4-oxadiazole scaffolds and evaluates their antimicrobial and antibiofilm potential. A total of 14 novel compounds…

  2. METHODOLOGICAL APPROACH QUANTUM CHEMICAL CALCULATIONS AND HIRSHFELD SURFACE ANALYSIS OF 3-BENZYL-2H-CHROMEN-2-ONE 2026

    No abstract yet.

  3. Conformational Landscape, Infrared Characterization, and UV-Induced Reactivity of 3-Chloromethyl-5-(3-Methoxyphenyl)-1,2,4-Oxadiazole Isolated in a Nitrogen Matrix 2026

    In this study, we present a comprehensive analysis of the conformational landscape, vibrational properties and photochemistry of monomeric 3-chloromethyl -5-(3-methoxyphenyl)-1,2,4-oxadiazole (CMPO). This molecule can adopt eight different conformers, but only four of these (the skew conformers, with the chlorine atom…

  4. Conformational landscape and UV-induced photochemistry of a CF₃–aryl– and CH2Cl– substituted 1,2,4-oxadiazole: A matrix-isolation IR and computational investigation 2026

    No abstract yet.

  5. Synthesis of novel 1,2,4-oxadiazole-isoxazoline hybrids and their in silico potential with adenosine receptors 2026

    A concise and efficient synthetic route to novel 1,2,4-oxadiazole-isoxazoline hybrids 7 has been developed via regioselective 1,3-dipolar cycloaddition of in situ-generated nitrile oxides with 3-( p -substituted-aryl)-5-vinyl-1,2,4-oxadiazoles 6 . The target compounds 7a–ay were obtained in moderate to excellent yield…

  6. Synthesis, Experimental and Theoretical Characterization of (E)-1-((5-nitrothiophen-2-yl)methylene)-2-Phenylhydrazine 2026

    Abstract A nitrothiophen-based hydrazone derivative, (E)-1-((5-nitrothiophen-2-yl)methylene)-2-phenylhydrazine, is synthesized and characterized using single crystal X-ray diffraction, FTIR, and UV-Vis spectroscopy. Hirshfeld surface analysis reveals that H⋯H and O⋯H/H⋯O interactions dominate the crystal packing. DFT…

  7. Synthesis, Experimental and Theoretical Characterization of (E)-1-((5-nitrothiophen-2-yl)methylene)-2-Phenylhydrazine 2026

    Abstract A nitrothiophen-based hydrazone derivative, (E)-1-((5-nitrothiophen-2-yl)methylene)-2-phenylhydrazine, is synthesized and characterized using single crystal X-ray diffraction, FTIR, and UV-Vis spectroscopy. Hirshfeld surface analysis reveals that H⋯H and O⋯H/H⋯O interactions dominate the crystal packing. DFT…

  8. Synthesis of novel 1,2,4-oxadiazole-isoxazoline hybrids and their in silico potential with adenosine receptors 2026

    A concise and efficient synthetic route to novel 1,2,4-oxadiazole-isoxazoline hybrids 7 has been developed via regioselective 1,3-dipolar cycloaddition of in situ-generated nitrile oxides with 3-( p -substituted-aryl)-5-vinyl-1,2,4-oxadiazoles 6 . The target compounds 7a–ay were obtained in moderate to excellent yield…

  9. Synthesis of novel 1,2,4-oxadiazole-isoxazoline hybrids and their in silico potential with adenosine receptors 2026

    A concise and efficient synthetic route to novel 1,2,4-oxadiazole-isoxazoline hybrids 7 has been developed via regioselective 1,3-dipolar cycloaddition of in situ-generated nitrile oxides with 3-( p -substituted-aryl)-5-vinyl-1,2,4-oxadiazoles 6 . The target compounds 7a–ay were obtained in moderate to excellent yield…

  10. Synthesis, Structural Characterization, and Structure–Activity Relationship of Thiazole Derivatives: A Combined Experimental and Computational Study 2026

    No abstract yet.

  11. Multidisciplinary Computational Study of 1-(4-Chlorophenyl)-3-(4-fluorophenyl)triazene: DFT, NLO Properties, Hirshfeld Surface Analysis, and Molecular Docking 2026

    In the present study, the structural, electronic, NLO, intermolecular, and biological activities of the compound 1-(4-chlorophenyl)-3-(4-fluorophenyl) triazene (I) were studied in detail by the application of multiple computational methods. The optimized structure of the compound was computed at the B3LYP/6-311++G(d,p…

  12. Structure, IR spectrum and UV-induced photochemistry of a pyridyl-substituted 1,3,4-oxadiazole-thione in Ar matrix and intermolecular interactions in the neat crystalline phase 2026

    No abstract yet.

Academicians

21 academicians