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 16 April 2024

Mol­ecular structure and selective theophylline com­plexation by conformational change of di­ethyl N,N′-(1,3-phenyl­ene)dicarbamate

The diethyl N,N′-(1,3-phenyl­ene)dicarbamate–theophylline (1–TEO) com­plex was obtained by mechanochemistry involving the conformational change of one of the ethyl carbamate groups of 1 from the endo conformation to the exo conformation to allow the formation of the inter­molecular inter­actions.

Accepted 16 April 2024

Two metastable high hydrates of energetic material 3,3′,5,5′-tetra­nitro-4,4′-bi­pyrazole

Crystallization of 3,3′,5,5′-tetra­nitro-4,4′-bi­pyrazole obeys Ostwald's rule of stages and features the emergence of metastable highly hydrated phases prior to the formation of the stable monohydrate.

Accepted 13 April 2024

Relationship between synthesis method–crystal structure–melting properties in co­crystals: the case of caffeine–citric acid

A new polymorphic form of the caffeine–citric acid cocrystal, solved by powder X-ray diffraction thanks to synchrotron experiments, was com­pared with the already known forms. An analysis of the hydrogen bonding indicates that the cocrystal obtained here is less stable than the co­crystals already identified in the literature.

Accepted 11 April 2024

Crystal, electronic structure and hydrogenation properties of the Mg5.57Ni16Ge7.43 cluster phase with a new type of polyhedron

The crystal structure of the cubic ternary germanide Mg5.57Ni16Ge7.43 has been determined by single-crystal X-ray diffraction. The structure type represents the structure family based on the Th6Mn23-type and Mg6Cu16Si7. A new type of polyhedron, i.e. a penta­conta­tetra­hedron, which is based on triangular, tetra­gonal and penta­gonal faces, is described. Electronic structure and hydrogenation properties are discussed.

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