The title compound, CHClNO, crystallized with two independent mol-ecules ( and ) in the asymmetric unit. In both mol-ecules, the pyran and pyridine rings adopt envelope and chair conformations, respectively. The conformation of the pyrrolidine and cyclo-pentene rings differ in the two mol-ecules; twisted and flat, respectively, in mol-ecule , but envelope and twisted, respectively, in mol-ecule . In both mol-ecules, there is a C-H⋯N intra-molecular hydrogen bond present. In both mol-ecules, the oxygen atoms of the nitro groups are disordered as is the chlorine atom in mol-ecule . In the crystal, the mol-ecules are linked by C-H⋯O hydrogen bonds, forming chains along [010], and by C-H⋯π inter-actions. The and mol-ecules are also linked by a number of C-H⋯π inter-actions, resulting in the formation a supra-molecular three-dimensional structure. In mol-ecule , the nitro group oxygen atoms are disordered over two positions with refined occupancy ratios of the nitro group oxygen atoms O3 and O4 in 0.59 (2):0.41 (2) while in molecule one of the nitro O atoms is disordered over two positions with a refined occupancy ratio of 0.686 (13):0.314 (13) and the chlorine atoms is disordered over two positions with a refined occupancy ratio of 0.72 (3):0.28 (3).
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http://dx.doi.org/10.1107/S2056989019000975 | DOI Listing |
J Am Chem Soc
January 2025
State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province (IKKEM), Xiamen University, Xiamen 361005, China.
Nitrogen fixation is essential for the sustainable development of both human society and the environment. Due to the chemical inertness of the N≡N bond, the traditional Haber-Bosch process operates under extreme conditions, making nitrogen fixation under ambient conditions highly desirable but challenging. In this study, we present an ultrasonic atomizing microdroplet method that achieves nitrogen fixation using water and air under ambient conditions in a rationally designed sealed device, without the need for any catalyst.
View Article and Find Full Text PDFMaterials (Basel)
December 2024
College of Electrical Engineering and Control Science, Nanjing Tech University, Nanjing 211816, China.
Polypropylene (PP) membranes have found diverse applications, such as in wastewater treatment, lithium-ion batteries, and pharmaceuticals, due to their low cost, excellent mechanical properties, thermal stability, and chemical resistance. However, the intrinsic hydrophobicity of PP materials leads to membrane fouling and filtration flux reduction, which greatly hinders the applications of PP membranes. Dielectric barrier discharge (DBD) is an effective technique for surface modification of materials because it generates a large area of low-temperature plasma at atmospheric pressure.
View Article and Find Full Text PDFMolecules
December 2024
School of Electrical Engineering, Shandong University, Jinan 250061, China.
In recent years, plasma medicine has developed rapidly as a new interdisciplinary discipline. However, the key mechanisms of interactions between cold atmospheric plasma (CAP) and biological tissue are still in the exploration stage. In this study, by introducing the reactive molecular dynamics (MD) simulation, the capsid protein (CA) molecule of HIV was selected as the model to investigate the reaction process upon impact by reactive oxygen species (ROS) from CAP and protein molecules at the atomic level.
View Article and Find Full Text PDFNat Commun
January 2025
Department of Chemistry and Research Institute for Natural Sciences, Korea University, Seoul, Republic of Korea.
The success of proton exchange membrane water electrolysis (PEMWE) depends on active and robust electrocatalysts to facilitate oxygen evolution reaction (OER). Heteroatom-doped-RuO has emerged as a promising electrocatalysts because heteroatoms suppress lattice oxygen participation in the OER, thereby preventing the destabilization of surface Ru and catalyst degradation. However, identifying suitable heteroatoms and achieving their atomic-scale coupling with Ru atoms are nontrivial tasks.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Zhejiang University, Department of Chemistry, CHINA.
Ruthenium dioxide (RuO2) is a benchmark electrocatalyst for proton exchange membrane water electrolyzers (PEMWE), but its stability during the oxygen evolution reaction (OER) is often compromised by lattice oxygen involvement and metal dissolution. Despite that the typical synthesis of RuO2 produces chloride residues, the underlying function of chloride have not well investigated. In this study, we synthesized chlorine-containing RuO2 (RuO2-Cl) and pure RuO2 catalysts with similar morphology and crystallinity.
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