forthcoming articles

The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section C: Structural Chemistry.

See also Forthcoming articles in all IUCr journals.

Accepted 22 July 2024

2,4-Di­aryl­pyrroles: synthesis, characterization and crystallographic insights

The crystallographic analysis of two novel pyrroles is reported. A nitrosyl derivative revealed strong hydrogen-bond inter­actions and bifurcated halogen bonds that lead to inter­stitial voids.

Accepted 18 July 2024

Formation of a di­iron–(μ-η11-CN) com­plex from aceto­nitrile solution

A di­iron end-on μ211-CN-bridged com­plex is obtained from a crystallization experiment of an open-chain iron–NHC com­plex. The cyanide appears to originate from the aceto­nitrile (MeCN) solvent by C—C bond cleavage or through C—H oxidation.

Accepted 18 July 2024

Ruthenium(II) 10,10-di­methyl-5,15-bis­(penta­fluoro­phen­yl)biladiene dicarbon­yl: discovery of the first ruthenium tetra­pyrrole cis-di­carbonyl complex

The structure of a CO2 reduction photo­catalyst prototype, the first cis-dicarbonyl ruthenium(II) tetra­pyrrole complex, has been determined by X-ray and electron diffraction to have an unprecedented seesaw-coordinated biladiene ligand.

Accepted 18 July 2024

Further evaluation of the shape of atomic Hirshfeld surfaces: M⋯H contacts and homoatomic bonds

The sensitivity of atomic Hirshfeld surfaces is further validated through the evaluation of contacts of type M⋯H and through the variations in curvature for C—C bonds depending on the hybridization of the C atoms.

Accepted 17 July 2024

A luminescent Cu2I2P2S2-type binuclear com­plex and its fluorescence sensing for pyridine

In the title Cu2I2P2S2-type binuclear com­plex, Cu2I2TPP2TU2, TPP (triphenylphosphine) and TU (thiourea) adopt terminal coordinations, and the two CuI centres are bridged by two μ2-I ligands. After com­posite processing, the paper-based film based on the title com­plex exhibits obvious luminescence light-up sensing for pyridine and 4-methyl­pyridine.

Accepted 17 July 2024

Occupational modulation in the (3+1)-dimensional incommensurate structure of (2S,3S)-2-amino-3-hy­droxy-3-methyl-4-phen­oxy­butanoic acid dihydrate

The (3+1)-dimensional incommensurate structure of (2S,3S)-2-amino-3-hy­droxy-3-methyl-4-phen­oxy­butanoic acid dihydrate (I·2H2O), in which one of the water mol­ecules is disordered over two positions and each position exhibits occupational modulation, can be well refined in superspace, and in the average and supercell approximations. The occupational modulation of the disordered solvent water mol­ecule results from the com­petition between the different hy­dro­gen-bonding motifs associated with the two disorder positions of the water mol­ecule.

Accepted 15 July 2024

The influence of the axial group on the crystal structures of boron sub­phthalo­cyan­ines

The crystal structures of an array of 16 boron sub­phthalo­cy­an­ines with structurally diverse axial groups were analyzed and com­pared based on their inter­molecular inter­actions, axial bond lengths and bowl depths.

Accepted 12 July 2024

Concerning the structures of Lewis base adducts of titanium(IV) hexa­fluoro­iso­pro­pox­ide

The reaction of titanium(IV) chloride with sodium hexa­fluoro­iso­pro­pox­ide, carried out in hexa­fluoro­iso­propanol, produces titanium(IV) hexa­fluoro­iso­pro­pox­ide, which is a liquid at room temperature. Recrystallization from coordinating solvents, such as aceto­nitrile or tetra­hydro­furan, results in the formation of bis-solvate com­plexes. These com­pounds are of inter­est as possible Ziegler–Natta polymerization catalysts.

Accepted 12 July 2024

A brief review on com­puter simulations of chal­copy­rite surfaces: structure and reactivity

Review of com­putational simulations of the chal­co­py­rite structure, oxidations and inter­actions with collectors.


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