Synthesis, structure and sulfonamide–sulfonimide tautomerism of sulfonamide–1,2,4-triazine derivatives

The synthesis and crystal structures of two new 1,2,4-triazine-containing sulfonamide derivatives, which crystallized in two different tautomeric forms, are reported. The tautomeric equilibrium for each of the possible tautomeric forms was performed in the gaseous phase and in chloro­form, ethanol and water solutions using the DFT method.

Crystal structure, electronic structure, and optical properties of the novel Li₄CdGe₂S₇, a wide-bandgap quaternary sulfide with a polar structure derived from lonsdaleite

The novel quaternary thio­germanate Li₄CdGe₂S₇ was discovered from a solid-state reaction at 750 °C. The com­pound adopts the Cu₅Si₂S₇ structure type, which is a derivative of lonsdaleite. Li₄CdGe₂S₇ appears to be a better IR nonlinear optical candidate than Li₂CdGeS₄ and one of the most promising contenders to date.

A new two-dimensional cadmium(II) coordination polymer based on the asymmetric di­carb­oxy­lic acid homophthalic acid: synthesis, structure and properties

A cadmium(II) com­pound, prepared by reaction of Cd(NO₃)₂·6H₂O with homophthalic acid and 4,4′-bis­(2-methyl­imidazol-1-yl)biphenyl in a mixture of H₂O and di­methyl­formamide, possesses a new two-dimensional layer based on one-dimensional [Cd(HMPH)]_n chains. The com­pound displays a highly selective and sensitive sensing for nitro­furan­toin (NFT) in aqueous solution. In addition, it displays a high photocatalytic activity for the degradation of methyl­ene blue (MB) in water under UV-light irradiation.

A mixed-valence [Co^II₄Co^III₂] cluster with defect disk-shaped topology

A mixed-valence Co₆ cluster was synthesized and characterized. It exhibits a defect disk-shaped architecture. DC magnetic property studies in the 2.0–300 K range revealed anti­ferromagnetic inter­actions between the Co^II ions.

Design, synthesis and spectroscopic and structural characterization of novel N-(2-hy­droxy-5-methyl­phen­yl)-2,3-di­meth­oxy­benz­amide: DFT, Hirshfeld surface analysis, antimicrobial activity, mol­ecular docking and toxicology

The structure of novel N-(2-hy­droxy-5-methyl­phen­yl)-2,3-di­meth­oxy­benz­amide displays only one inter­molecular hydrogen bond. The com­pound shows high activity but its toxicology is poor. Considering experimental antimicrobial values, it exhibits the best activity against Gram-positive B. subtilis bacteria and Gram-negative P. aeruginosa bacteria. However, according to mol­ecular docking results, the target com­pound showed the best activity against Gram-positive B. licheniformis bacteria and the fungi A. flavus and C. utilis.

Geometric isomers of di­chlorido­iron(III) com­plexes of CTMC (5,7,12,14-tetra­methyl-1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)

Di­chlorido­iron(III) com­plexes of two stereoisomers of a tetra­aza­macrocycle are examined. The stereoisomerism of the macrocycle is shown to determine the geometric isomerism of the resulting metal com­plex, and these results are com­pared to relevant previous reports.