Bonding properties and crystal packing in β-(SeCl₄)₄ derived from Hirshfeld Atom Refinement

Hirshfeld Atom Refinement was used to determine the electron-density distribution in the tetra­meric mol­ecule of β-SeCl₄. Deformation density, ELF and QTAIM analyses were used to locate the lone electron pair and evaluate the bonding situation and inter­action energy.

High-throughput crystallization and crystal structure of N-(1,5-di­methyl-3-oxo-2-phenyl-2,3-di­hydro-1H-pyrazol-4-yl)-2-methyl­benzamide: a benzamide bearing the 4-amino­anti­pyrine moiety

A benzamide bearing 4-amino­anti­pyrine has been crystallized by high-throughput (HTP) methods and the structure determined by X-ray crystallography.

Diprotonation of taurine: 2-[dihy­droxy(oxo)sul­fan­ylium­yl]ethanaminium bis­[hexa­fluoro­arsenate(V)]

Taurine is one of the most common natural substances, despite its behaviour under stongly acidic condtions, which was first uncovered with the determination of the crystal structure of 2-sulfo­ethyl­ammonium hexa­fluorido­anti­monate. We report further protonation, forming the sul­fo­nium ion, resulting from a tem­per­a­ture-dependent reaction of taurine with the superacidic system HF/AsF₅.

A polymeric form of basic iron(III) acetate with an acetic acid ligand

A new crystalline form of the basic ferric acetate unit is reported in which the trinuclear unit is bridged by acetate ions to form a zigzag chain. The crystal structure reveals a rare example of acetic acid coordination to an Fe^III centre.

Protonated oxalyl chloride and the ClCO⁺ cation

The crystal structures of monoprotonated oxalyl chloride and the chloro­carbonyl cation are elucidated for the first time. Both display very short C—Cl bonds with a strong double-bond character.