Studies of κ²- and κ³-tri­pyridyl­amine complexes of ruthenium and π-stacking by pyridyls

The propensity for the central amine N atom in tris­(pyridin-2-yl)amine [or (2-py)₃N] to remain sp²-hydridized allows the isolation of complexes containing either κ²- or κ³-(2-py)₃N, or both, as in [RuCl{κ²-(2-py)₃N}{κ³-(2-py)₃N}][SbF₆].

1-(Pyridin-4-yl)-4-thio­pyridine (PTP) in the crystalline state – pure PTP and a cocrystal and salt

The first in situ preparation and single-crystal structure identification of pure 1-(pyridin-4-yl)-4-thio­pyridine (PTP), a simple and basic derivative of mercapto­pyridine, obtained from a crystallization mixture, is described. A variety of mol­ecular inter­actions can be observed in three newly reported crystal structures of PTP, which are all discussed in detail.

Structures and biological activity of three 2-(pyridin-2-yl)-1H-benz­imid­azole derivatives

Three 2-(pyridin-2-yl)-1H-benz­imid­a­zole derivatives were synthesized and characterized by NMR spectroscopy. All three compounds have a similar chain hydrogen-bonding pattern. One of them showed good anti­microbial activity against Gram-positive bacteria. ADME analysis indicates that the compounds could be good drug candidates.

Molecular simulation of imperfect structure I CO₂ hydrate growth in brine

In order to investigate the viability of carbon dioxide (CO₂) storage in seawater, mol­ecular dynamics techniques were employed to study the dynamic evolution of CO₂ hydrate in saline water.

An efficient one-pot synthesis of pyrazole com­plexes formed in situ: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties

Two com­plexes, isolated from the Co⁰–ZnCl₂–1-hy­droxy­methyl-3,5-di­methyl­pyrazole–NH₄X system (where X = Cl or Br), were synthesized via one-pot syntheses. They show potent anti­pro­lif­er­a­tive activity combined with great selectivity towards cancer cells.