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 30 September 2022

Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite

The structures of synthesized Ir2S3 and Rh2S3 were refined using single-crystal X-ray diffraction. Crystallization of these minerals in the Earth's mantle was discussed with respect to the obtained Debye temperature.

Accepted 28 September 2022

Isolation and crystal and mol­ecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe]

Hexa- and octa­bromo­ferrocene, as well as a mercury derivative of deca­bromo­ferrocene, were isolated from mixtures of polybromo­ferrocenes and characterized by X-ray diffraction. The crystals show halogen and hydrogen bonding, which act co-operatively.

Accepted 26 September 2022

CdII-based com­pound as a multi-responsive fluorescent probe for sensing FeIII cations and CrVI oxyanions

A novel CdII com­pound with a two-dimensional structure was obtained by self-assembly from 5-[(3-carb­oxy­phen­oxy)meth­yl]isophthalic acid. The structure was analyzed and the photoluminescence properties were explored. The com­pound shows a high selectivity and sensitivity for detecting FeIII cations and CrVI oxyanions in aqueous solution, with a low detection limit of 0.19 µM for Fe3+ ions and 1.13 µM for Cr2O72− ions.

Accepted 26 September 2022

Qu­anti­tative insights into noncovalent inter­actions involving halogen and tetrel bonds in 2,4,6-tri­methyl­pyrylium tetra­fluoro­borate

The crystal structure of 2,4,6-tri­methyl­pyrylium tetra­fluoro­borate reveals a significant contribution of fluorine-centred inter­actions, com­prising F⋯O, F⋯π and C—H⋯F contacts, which governs the crystal packing in the solid state. The qu­anti­tative and qualitative aspects of these contacts were also established.

Accepted 7 September 2022

3,4-Bis-O-propargyl-1,2:5,6-di-O-iso­propyl­idene-D-mannitol: a study of multiple weak hydrogen bonds in the solid state

Primary weak hydrogen bonds in each of three independent mol­ecules in 3,4-bis-O-propargyl-1,2:5,6-di-O-iso­propyl­idene-D-mannitol are elucidated by single-crystal X-ray diffraction and their importance in mol­ecular con­formation and crystal packing determined. Parallel searches of the Cambridge Structural Database using motifs based on donor and acceptor propargyl D—H⋯A contacts reveal distance and angle dependencies that are especially sensitive to acceptor type, so, together, these findings will be beneficial in applications for the mol­ecule and its congeners as anion binders and precursors for the synthesis of macrocycles.


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