In the title compound, C10H11FN3O3S, the 2-fluoro-benzoyl and proponic acid groups maintain a trans-cis conformation with respect to the thiono C=S bond across their C-N bonds. The propionic acid group adopts an anti conformation about the C-C bond, with an N-C-C-C torsion angle of 173.8 (2)°. The amino groups are involved in the formation of intra-molecular N-H⋯O and N-H⋯F hydrogen bonds. In the crystal, pairs of O-H⋯O hydrogen bonds link mol-ecules into inversion dimers.
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http://dx.doi.org/10.1107/S1600536814011404 | DOI Listing |
Nanotechnology
January 2025
Department of Physics, University of Alberta, 4-181 CCIS, University of Alberta, Edmonton, Alberta, T6G 2R3, CANADA.
Bare silicon dimers on hydrogen-terminated Si(100) have two dangling bonds. These are atomically localized regions of high state density near to and within the bulk silicon band gap. We studied bare silicon dimers as monomeric units.
View Article and Find Full Text PDFLangmuir
January 2025
Prof. Rashidi Laboratory of Organometallic Chemistry & Material Chemistry, Department of Chemistry, College of Science, Shiraz University, Shiraz, 7194684795, Iran.
In this study, a Pd nanoparticles@hydrogen-bonded organic framework (Pd NPs@HOF) thin film was fabricated at the toluene-water interface. The HOF was formed through the interaction of trimesic acid (TMA) and melamine (Mel) in the water phase, while Pd(0) was produced from the reduction of [PdCl(cod)] in the organic phase. The as-synthesized Pd NPs@HOF thin film was demonstrated to be an effective catalyst for the selective reduction of -nitrophenol and -nitrophenol to -aminophenol and -aminophenol.
View Article and Find Full Text PDFChem Sci
January 2025
Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University Suzhou Jiangsu 215123 China
Understanding the oxygen reduction reaction (ORR) mechanism and accurately characterizing the reaction interface are essential for improving fuel cell efficiency. We developed an active learning framework combining machine learning force fields and enhanced sampling to explore the dynamics and kinetics of the ORR on Fe-N/C using a fully explicit solvent model. Different possible reaction paths have been explored and the O adsorption process is confirmed as the rate-determining step of the ORR at the Fe-N/C-water interface, which needs to overcome a free energy barrier of 0.
View Article and Find Full Text PDFChem Sci
January 2025
School of Chemistry and Chemical Engineering, Anhui University of Technology Ma'anshan 243032 Anhui China
Organic compounds present promising options for sustainable zinc battery electrodes. Nevertheless, the electrochemical properties of current organic electrodes still lag behind those of their inorganic counterparts. In this study, nitro groups were incorporated into pyrene-4, 5, 9, 10-tetraone (PTO), resulting in an elevated discharge voltage due to their strong electron-withdrawing capabilities.
View Article and Find Full Text PDFRSC Adv
January 2025
Institute of Chemistry, Vietnam Academy of Science and Technology Hanoi Vietnam
In this paper, a series of novel quinazoline-4(3)-one-2-carbothioamide derivatives (8a-p) were designed and synthesized the Wilgerodt-Kindler reaction between 2-methylquinazoline-4-one 10 and amines using S/DMSO as the oxidizing system. Their characteristics were confirmed by IR, NMR, HRMS spectra, and their melting point. These novel derivatives (8a-p) were evaluated for their anti-inflammatory activity by inhibiting NO production in lipopolysaccharide (LPS)-activated RAW 264.
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