The title compound, CHFNOS, crystallizes in the monoclinic system, space group 2/, with = 8. As expected, the nine-membered heterobicyclic system is virtually planar and the cyclo-hexyl group adopts a chair conformation. There is structural evidence for intra-molecular N-S⋯O chalcogen bonding between the benziso-thia-zolinone S atom and one O atom of the nitro group, approximately aligned along the extension of the covalent N-S bond [N-S⋯O = 162.7 (1)°]. In the crystal, the mol-ecules form centrosymmetric dimers through C-H⋯O weak hydrogen bonding between a C-H group of the electron-deficient benzene ring and the benzo-thia-zolinone carbonyl O atom with an (10) motif. In contrast to the previously described -acyl 7-nitro-5-(tri-fluoro-meth-yl)benzo[]iso-thia-zol-3(2)-ones, the title -cyclo-hexyl-methyl analogue does not inhibit growth of and .
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http://dx.doi.org/10.1107/S2056989023010137 | DOI Listing |
Phys Chem Chem Phys
January 2025
State Key Lab of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, China.
Mechanoresponsive colloidal photonic crystals embedded in elastic solid matrices exhibit tunable optical properties under mechanical force, showing great potential for various applications. However, the response of colloidal crystals embedded in a liquid matrix remains largely unexplored. In this study, we investigate the structural and optical transitions of colloidal crystals composed of particles suspended in a liquid oligomer under pressing and shear forces.
View Article and Find Full Text PDFJ Mol Model
January 2025
Nanjing Hydraulic Research Institute, Shanghai, China.
Context: This study systematically investigated the effects of single S-atom vacancy defects and composite defects (vacancy combined with doping) on the properties of MoS using density functional theory. The results revealed that N-doped S-vacancy MoS has the smallest composite defect formation energy, indicating its highest stability. Doping maintained the direct band gap characteristic, with shifts in the valence band top.
View Article and Find Full Text PDFNano Lett
January 2025
Institute of Nanochemistry and Nanobiology, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, P.R. China.
Crystals with three-dimensional (3D) stereoscopic structures, characterized by diverse shapes, crystallographic planes, and morphologies, represent a significant advancement in catalysis. Differentiating and quantifying the catalytic activity of specific surface facets and sites at the single-particle level is essential for understanding and predicting catalytic performance. This study employs super-resolution radial fluctuations electrogenerated chemiluminescence microscopy (SRRF-ECLM) to achieve high-resolution mapping of electrocatalytic activity on individual 3D CuO crystals, including cubic, octahedral, and truncated octahedral structures.
View Article and Find Full Text PDFDalton Trans
January 2025
Department of Inorganic Chemistry, Shahid Beheshti University, 1983969411, Tehran, Iran.
In a systematic study, six pseudopolymorphic coordination polymers containing the ditopic 1,3-di(pyridin-4-yl)urea ligand (4bpu) constructed with d metal cations, possessing the formula {[M(4bpu)I]S} [(M = Zn, Cd and Hg), (S = MeOH or EtOH)], namely Zn-MeOH, Zn-EtOH, Cd-MeOH, Cd-EtOH, Hg- and Hg-EtOH were obtained. The title compounds were characterized by single-crystal X-ray diffraction analysis (SC-XRD), elemental analysis (CHN), FT-IR spectroscopy, thermogravimetric analysis (TGA), and powder X-ray diffraction (PXRD). The diffraction studies show that these compounds are isostructural 1D zig-zag chain coordination polymers which is also confirmed using XPac 2.
View Article and Find Full Text PDFDalton Trans
January 2025
National Engineering Research Center for Domestic & Building Ceramics, School of Materials Science and Engineering, Jingdezhen Ceramic University, Jingdezhen 333403, China.
Due to a lack of spatially resolved characterization studies on statistical and individual particle microstructure at multiple scales, a knowledge gap exists in understanding the mechanistic link between rapid performance failure and atomic-scale structure degradation in single-crystalline Ni-rich battery cathodes. In a recent publication in , Huang developed a multi-crystal rocking curve technique (combining X-ray and electron microscopy to capture both statistical and individual lattice distortions), which enables multiscale observations and further proves that the accumulation of the unrecoverable lattice rotation in cathodes upon repeated cycling exacerbates mechanical failure and electrochemical decay. The elucidation of failure mechanisms in single-crystalline cathodes offers valuable insights into the development of long-lasting and high-energy-density cathodes in next-generation batteries, encompassing strategies to mitigate lattice rotation and enhance lattice structure tolerance against lattice distortion within individual particles.
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