A fourfold inter­penetrating three-dimensional cadmium(II) coordination polymer: synthesis, crystal structure and physical properties

A cadmium(II) com­pound, prepared by reaction of Cd(NO₃)₂·4H₂O with naphthalene-1,4-di­carb­oxy­lic acid and bis­[4-(2-methyl­imidazol-1-yl)phenyl] ether in a mixture of H₂O and di­methyl­formamide, possesses a fourfold inter­penetrating diamond-like three-dimensional framework. The com­pound exhibits strong fluorescence emission in the solid state and excellent photocatalytic activity for the degradation of methylene blue (MB) at room temperature.

Varying degrees of homostructurality in a series of cocrystals of anti­malarial drug 11-aza­artemisinin with salicylic acids

Cocrystals of the anti­malarial drug 11-aza­artemisinin (11-Aza) with salicylic acid (SalA) were reported recently and showed an enhanced dissolution rate. The use of bromo-substituted SalA com­pounds has now allowed the isolation of a larger family of these 1:1 cocrystals. All the structures involve mol­ecular pairs with (8) heterosynthons between the 11-Aza lactam functionality and the benzoic acid group that are organized into highly preserved 2₁ stacks. These are organized into either isostructural (5-BrSalA) or modified arrangements (4-BrSalA and 3,5-Br₂SalA), with varying degrees of homostructurality com­pared to the parent SalA cocrystal.

Bis(2-nitro­phen­yl) selenide, bis­(2-amino­phen­yl) selenide and bis­(2-amino­phen­yl) telluride: structural and theoretical analysis

Theoretical and structural studies have been carried out on bis­(2-nitro­phen­yl) selenide, bis­(2-amino­phen­yl) selenide, and bis­(2-amino­phen­yl) telluride.

Crystal structure characterization and electronic structure of a rare-earth-containing Zintl phase in the Yb–Al–Sb family: Yb₃AlSb₃

A rare-earth-containing com­pound, Yb₃AlSb₃ (Ca₃AlAs₃-type structure), has been successfully synthesized within the Yb–Al–Sb system through flux methods. The crystal structure features infinite corner-sharing AlSb₄ tetra­hedra, [AlSb₂Sb_2/2]⁶⁻, with Yb²⁺ cations residing between the tetra­hedra to provide charge balance.

Unique octa­hedral rotation pattern in the oxygen-deficient Ruddlesden–Popper com­pound Gd₃Ba₂Fe₄O₁₂

A novel Ruddlesden–Popper-related com­pound, Gd₃Ba₂Fe₄O₁₂, has been synthesized. The crystal structure was determined via single-crystal X-ray diffraction. The com­pound shows the unique octa­hedral rotation scheme related to the oxygen-deficient structure.

Novel Ba²⁺ and Pb²⁺ metal–organic frameworks based on a semi-rigid tetra­carb­oxy­lic acid: syntheses, structures, topologies and luminescence properties

Two new main-group metal–organic frameworks (MOFs) based on the semi-rigid tetra­carb­oxy­lic acid 5,5′-methyl­enebis(2,4,6-tri­methyl­iso­phthalic acid) were prepared under hydro­thermal conditions and characterized. The Ba com­plex reveals a three-dimensional flu network formed via bridging tetra­nuclear SBUs, while the Pb com­plex displays a three-dimensional framework with an sqp topology based on one-dimensional metal chains. The luminescence properties of both com­plexes have been investigated in the solid state.

Synthesis, spectroscopic investigation, crystal structure analysis, quantum chemical study, biological activity and mol­ecular docking of three isatin derivatives

Three isatin derivatives were synthesized, crystallized by the slow-evaporation technique, characterized by ¹H and ¹³C NMR spectroscopy, and analysed by the single-crystal X-ray diffraction (XRD) method. Quantum chemical parameters were calculated and the druglikeness and bioactivity scores of the com­pounds were predicted. The activities of these isatin derivatives against bacterial and fungal strains were determined using the well-diffusion assay method. Mol­ecular docking studies were carried out to predict the binding mode of the isatin com­pounds with the penicillin binding protein enzyme.

Contributions of secondary alcohol–ketone O—H⋯O=C and furan–acetate Csp²—H⋯OOC synthons to the supra­molecular packings of two bioactive mol­ecules

The crystal structures of rubescin D and monadelphin A, bioactive mol­ecules of the vilasinin and gedunin classes of limonoids, respectively, are reported. The synthons involved in the packing modes are analyzed on the basis of their occurrences in com­pounds from the Cambridge Structural Database displaying the same moieties. The effects of these synthons are determined by com­paring the supra­molecular arrangements of both com­pounds with those of structures having the same skeleton but different substituents.