Mirror-plane disorder in a nickel chloride Schiff base com­plex: a suitable case study for crystallographic instruction

A nickel chloride Schiff base com­plex with mirror-plane disorder provides a case study for crystallographic instruction.

8-Furyl­imidazolo-2′-de­oxy­cytidine: crystal structure, packing, atropisomerism and fluorescence

A disproportionate disorder is observed for the furyl ring of 8-furyl­imidazolo-2′-de­oxy­cytidine (^furImidC) due to atropisomerism, with the two isomers related to each other by a 180° rotation about the C8—C2′′ bond. ^furImidC shows an anti conformation at the glycosyl bond and a C2′-endo sugar pucker of the 2′-de­oxy­ribosyl moiety. The mol­ecule is fluorescent and the fluorescence responds to solvent viscosity.

Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich com­plex: [Na(tetra­hydro­furan)₃][V₂(anthracene)₂]

Unprecedented examples of bis­(naphthalene)- and (anthracene)vanadates have been prepared and structurally characterized, including presently unique examples of salts containing a bis­(arene)metallate dianion, [K(THF)₂]₂[V(naphthalene)₂] (THF is tetra­hydro­furan), and a dimetallabis(anthracene) sandwich com­plex, the depicted [Na(THF)₃][V₂(anthracene)₂].

Synthesis, crystal structure and photo­catalytic properties of a three-dimensional copper(II) metal–organic framework based on 1,3,5-tris­(2-methyl­imid­azol-1-yl)ben­zene

A three-dimensional copper(II) metal–organic framework (MOF), with a 2-nodal (3,4)-net, was assembled from 1,3,5-tris­(2-methyl­imid­azol-1-yl)ben­zene and ben­zene-1,3,5-tri­carb­oxy­lic acid. The thermal stability and photo­catalytic properties of this MOF were investigated and it was found to exhibit good photo­catalytic capabilities in the degradation of methyl­ene blue (MB).

Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN₂S and [9]aneNS₂ towards silver(I)

The aim of this study is to determine how far the length and number of the pendant arms in nitrile-functionalized derivatives of small mixed-donor macrocycles influence the structure of silver(I) com­plexes, both in the presence and absence of exogenous ligands.

Synthesis and structures of three benzoannelated macrobicyclic di­amides

Three benzoannelated macrobicyclic di­amides were synthesized, characterized, and analyzed by X-ray crystallography. The compounds show the structural effects of varying the location of the di­amides and changing the size of the macrocycles.

Insights on structure and inter­actions of 2-amino-4-meth­oxy-6-methyl­pyrimidinium salts with 4-amino­salicylate and 5-chloro­salicylate: a combined experimental and theoretical charge–density analysis

The proton-transfer com­plexes of 2-amino-4-meth­oxy-6-methyl­pyrimidinium with 4-amino­salicylate and 5-chloro­salicylate were synthesized by slow evaporation and crystallized. The cations and anions form distinct synthons. Energy framework calculations showed the stability of the hydrogen-bonding inter­actions. QTAIM analysis revealed the nature of the chemical bonding and the charge–density distribution in the inter­molecular inter­actions in the crystal structures.

A new bioactive cocrystal of coumarin-3-carb­oxy­lic acid and thio­urea: detailed structural features and biological activity studies

A new cocrystal of coumarin-3-carb­oxy­lic acid and thio­urea has been successfully obtained via a neat grinding method in a 1:1 stoichiometric ratio. An evaluation of the biological activity of the cocrystal revealed that it is a potent and noncytotoxic DPPH radical scavenger and therefore a potential candidate to explore further for its anti­oxidant properties.

Experimental and theoretical investigations on a furan-2-carboxamide-bearing thia­zole: synthesis, mol­ecular characterization by IR/NMR/XRD, electronic characterization by DFT, Hirshfeld surface analysis and biological activity

A thia­zole-based heterocyclic amide, N-(thia­zol-2-yl)furan-2-carboxamide, was synthesized and investigated for its anti­microbial activity against eight microorganisms and showed good activity against all eight microorganisms. This suggests that the compound merits further study for potential pharmacological and medical applications.