journal menuforthcoming 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.
research papersMolecular 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.
research papersTwo 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.
research papersRelationship 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.
research papersCrystal, 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.
