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1.
Acta Crystallogr E Crystallogr Commun ; 79(Pt 10): 910-915, 2023 Oct 01.
Article in English | MEDLINE | ID: mdl-37817947

ABSTRACT

The overall mol-ecular configuration of the title compound, C12H16N6OS2·C3H7NO, is stabilized in the solid state by intra-molecular C-H⋯N, C-H⋯O, N-H⋯N and N-H⋯O inter-actions, forming S(5) ring motifs. In the crystal, mol-ecules are linked to each other and solvent di-methyl-formamide mol-ecules by N-H⋯S, N-H⋯O, C-H⋯O and C-H⋯S hydrogen bonds, forming a three dimensional network. The phenyl ring of the title compound is disordered over two sites with an occupancy ratio of 0.57 (4):0.43 (4). A Hirshfeld surface analysis was performed to qu-antify the contributions of the different inter-molecular inter-actions, indicating that the most important contributions to the crystal packing are from H⋯H (38.7%), S⋯H / H⋯S (24.0%), C⋯H / H⋯C (18.5%) and N⋯H / H⋯N (9.8%) inter-actions.

2.
Acta Crystallogr E Crystallogr Commun ; 78(Pt 6): 675-678, 2022 Jun 01.
Article in English | MEDLINE | ID: mdl-36072143

ABSTRACT

In the title compound, C18H16ClNO2S, the thia-zole ring subtends dihedral angles of 13.12 (14) and 43.79 (14) ° with the attached chloro-phenyl and phenyl rings, respectively. In the crystal, C-H⋯π inter-actions link the mol-ecules, forming a three-dimensional network. The roles of the various inter-molecular inter-actions were clarified by Hirshfeld surface analysis, which reveals that the most important contributions to the crystal packing are from H⋯H (39.2%), H⋯C/C⋯H (25.2%), Cl⋯H/H⋯Cl (11.4%) and O⋯H/H⋯O (8.0%) contacts.

3.
Environ Int ; 37(6): 1044-52, 2011 Aug.
Article in English | MEDLINE | ID: mdl-21665053

ABSTRACT

A series of chitosan-stabilized Pd-NZVI (nano-zero-valent-iron) catalysts for dechlorination with variation in their composition and in the nature of the polymer has been prepared. The synthesis procedures and palladium and chitosan contents were optimized. It was demonstrated by the XPS method that Fe and Pd in Fe-Pd/chitosan samples exist in the metallic state. The positive shift of the binding energy as compared with the bulk metal shows that the iron metal in the surface layers exists as very small nanoparticles. The prepared materials were characterized also by the XAS method. The presence of O and N atoms in the first coordination shell of the central Fe atom in the Fe-Pd/chitosan samples certifies the binding of the Fe metal particles with the chitosan surface via OH and NH(2) groups. The samples are characterized by the high stability of the nanoparticles as compared to unstabilized Pd-NZVI. The materials were tested to evaluate their catalytic activity in the perchloroethene (PCE) dechlorination reaction. Some samples of chitosan-stabilized Pd-NZVI revealed a good performance in PCE degradation as compared to unstabilized Pd-NZVI.


Subject(s)
Chitosan/chemistry , Iron/chemistry , Lead/chemistry , Metal Nanoparticles/chemistry , Tetrachloroethylene/chemistry , Water Pollutants, Chemical/chemistry , Catalysis , Chelating Agents/chemistry , Halogenation , Ketoglutaric Acids/chemistry , Palladium/chemistry , Tetrachloroethylene/analysis , Water Pollutants, Chemical/analysis , Water Purification/methods
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