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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 papersCrystal structure, DFT and molecular docking studies of three 4-(benzo[d]thiazol-2-yl)-N,N-diphenylaniline derivatives
This work details the design, synthesis and characterization of novel high-efficiency catalyst materials for improved chemical transformations. The results demonstrate superior reaction yields and selectivity under optimized conditions.
research papersOccupational disorder and anharmonic atomic displacements in an elastically flexible caffeine cocrystal solvate at 20 K
In the flexible multicomponent system of caffeine, 4-chloro-3-nitrobenzoic acid and methanol, the solvent molecules are occupationally disordered. The acid molecule exhibits intramolecular strain between the Cl atom and the disordered nitro group, with anharmonic displacements of the Cl atom and the O atom of the shortest N—O bond.
research papersAn unusual case of tetartohedral twinning: the low-temperature phase of bis[μ3-1,3-bis(tert-butylazanidyl)-1,1,3,3-tetramethyldisiloxane]tetralithium(I)
The low-temperature phase of the title compound crystallizes in P21, but the cell is pseudo-tetragonal. Twinning arises via two equal axes and a monoclinic β angle of 90.05 (2)°, and also by inversion. The twinning was successfully analysed, leading to a satisfactory structure (wR2 0.067).
research papersSalts of 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]thiosemicarbazide with inorganic anions
Salt forms of 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]thiosemicarbazide (chloride, nitrate and thiocyanate salts) are air stable in the solid state. They crystallize as E isomers; however, both E and Z isomers were found using NMR spectroscopy (DMSO-d6 solutions).
