Deep hydration of an Li_7–3xLa₃Zr₂M^III_xO₁₂ solid-state electrolyte material: a case study on Al- and Ga-stabilized LLZO

Hydro­thermally treated Al- and Ga-stabilized stuffed Li garnets, nominally Li₇La₃Zr₂O₁₂, have been investigated by single-crystal X-ray diffraction to determine structural and site-occupation alterations due to Li^I/H^I exchange.

A novel hydrogen-bonding N-oxide–sul­fon­amide–nitro N—H⋯O synthon determining the architecture of benzene­sul­fon­amide cocrystals

A novel hydrogen-bonding N-oxide–sul­fon­amide–nitro N—H⋯O synthon has been recognized in the solid state. The effectiveness of proton-acceptor groups has been analyzed in terms of energetic properties with the Quantum Theory of Atoms in Mol­ecules approach.

Influence of protonation on the geometry of 2-{[(2,6-di­methyl­phen­oxy)eth­yl]amino}-1-phenyl­ethan-1-ol: crystal structures of the free base and of its chloride and 3-hy­droxy­benzoate salt forms

The crystal structures of four new xylenoxyamino­alcohol derivatives having anti­convulsant activity, three of which are salts, are reported. The protonation of the N atom influences the conformation of the mol­ecular linker between the two aromatic rings and changes the orientation of the rings. Structural studies have been enriched by the calculation of Hirshfeld surfaces and the corresponding fingerprint plots.

Syntheses, structures and magnetic properties of two Co^II/Ni^II isostructural coordination polymers based on an asymmetric semirigid tri­carboxyl­ate ligand

Two 2D isostructural Co^II/Ni^II coordination polymers were synthesized based on the 2-(4-carb­oxy­phen­oxy)terephthalate ligand. The com­plexes contain dimeric metal motifs with flying butterfly arrangements. Both of them exhibit anti­ferromagnetic inter­actions.

Crystal structures of 3/4-pyridyl-based thio­semi­car­bazones and related Cu and Ni coordination compounds

The crystal structures of two thio-ligands, 3-formyl­pyridine 4-phenyl­thio­semi­car­ba­zone (3-pytscH-NHPh) and 4-benzoyl­pyridine 4-ethyl­thio­semi­car­ba­zone (4-bpytscH-NHEt), and of two new coordination compounds, namely, [CuCl(3-pytscH-NHPh)(PPh₃)₂]·CH₃CN and [Ni(3-pytsc-NHEt)₂], are reported.

Psilocybin: crystal structure solutions enable phase analysis of prior art and recently patented examples

The crystal structures of anhydrous psilocybin Forms A and B have been solved using laboratory powder X-ray diffraction data, refined using synchrotron and laboratory data, and optimized by applying density functional techniques. The crystal structures, along with that of the previously determined trihydrate, permit the qu­anti­tative analysis of a variety of historical samples of psilocybin.

Crystallographic characterization of three cathinone hydro­chlorides new on the NPS market: 1-(4-methyl­phen­yl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methyl­amino)-1-(4-methyl­phen­yl)pentan-1-one (4-MPD)

The crystallographic structures and physicochemical characterization are reported for three cathinone (4-MPHP, α-PiHP and 4-MPD) hydro­chlorides new to the psychoactive substances (NPS) market.

Fe^III in a high-spin state in bis­(5-bromo­sali­cyl­alde­hyde 4-ethyl­thio­semicarbazonato-κ³O,N¹,S)ferrate(III) nitrate monohydrate, the first example of such a cationic Fe^III com­plex unit

The Fe^IIIS₂N₂O₂ chromophore contains two O,N,S-donating monoanionic semicarbazonate igands in perpendicular planes, with the O and S atoms in cis and the N atoms in trans positions. The Fe^III ion is in the high-spin state at 100 K.