Two mono­sodium salt hydrates of Colour Index Pigment Red 48

Two hydrate crystal structures of Colour Index Pigment Red 48 are characterized and the hydration and dehydration behaviour of the pigment are evaluated.

The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives

The relationship between the structures of a group of flavonoid and chromanone derivatives and their cytotoxic activity has been studied. An inverse relationship was found between the percentage contribution of C⋯C contacts to the Hirshfeld surface and cytotoxic activity against the WM-115 cancer line.

Solvent-assisted planar structure of a stilbene-based salicylhydrazone com­pound: crystal structure, solvent- and aggregation-induced emission, and switchable luminescence colouration

In the crystal structure of a novel stilbene salicylhydrazone derivative, there is a one-dimensional channel for DMSO mol­ecules, which may induce the easy removal of DMSO upon heating, and the crystal shows switchable luminescence colouration by simply removing or re-adding DMSO.

Crystal structure and characterization of magnesium carbonate chloride hepta­hydrate

The structure of the stable double salt MgCO₃·MgCl₂·7H₂O, obtained from concentrated solutions of MgCl₂, is characterized by double chains of MgO octahedra and carbonate ions parallel to (100), interconnected by chloride ions.

2-Chloro-4-nitro­benzoic acid as a coformer with pharmaceutical cocrystals and mol­ecular salts

Three new cocrystals and two mol­ecular salts of the pharmaceutically relevant 2-chloro-4-nitro­benzoic acid mol­ecule are reported.

Supra­molecular networks supported by the anion⋯π linkage of Keggin-type heteropolyoxotungstates

Multiple anion⋯π inter­actions are reliable supra­molecular synthons governing the self-assembly of noncovalent layers of Keggin-type anions in the structures of caffeinium and theobrominium salts.

A new family of lanthanide coordination polymers based on 3,3′-[(5-carboxyl­ato-1,3-phenyl­ene)bis­(­oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties

A new family of lanthanide(III) coordination polymers based on 3,3′-[(5-carb­oxy-1,3-phenyl­ene)bis­(­oxy)]di­benzoic acid has been structurally characterized and the magnetic properties of the Gd^III complex and the luminescence properties of the Pr^III, Eu^III and Gd^III com­plexes were investigated.

A new langbeinite-type phosphate K₂GdHf(PO₄)₃: synthesis, crystal structure, band structure and luminescence properties

A new langbeinite-type phosphate K₂GdHf(PO₄)₃ with Gd|Hf occupancy disorder was prepared and structurally determined by single-crystal X-ray diffraction. Ce³⁺ was then introduced into the Gd³⁺ sites to prepare polycrystalline K₂Gd_0.99Ce_0.01Hf(PO₄)₃ and its luminescence properties were studied.

Regio- and stereospecific assembly of di­spiro­[indoline-3,3′-pyrrolizine-1′,5′′-thia­zolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization, and a proposed mechanism of formation

Di­spiro­[indoline-3,3′-pyrrolizine-1′,5′′-thia­zolidine]s containing four contiguous stereogenic centres have been synthesized with high regio- and stereoselectivity in a one-pot procedure using simple starting materials. The various modes of supra­molecular assembly depend upon different combinations of N—H⋯N, N—H⋯O, N—H⋯S=C and C—H⋯S=C hydrogen bonds.

Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluoro­phen­yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate

Solvato­morphism was observed in a fluoro­benzene-sub­stituted di­hydro­pyrimidinone derivative, where two solvato­morphs, namely, those with carbon tetrachloride and ethyl acetate, and one anhydrous form were isolated through extensive crystallization methods. The bulk compound was prepared using a simple and environmentally benign one-pot synthesis. Thermal characteristics of the forms have been analysed in addition to understanding the inter­molecular inter­actions contributing to the crystal packing.

The different modes of chiral [1,2,3]tri­azolo[5,1-b][1,3,4]thia­dia­zines: crystal packing, conformation investigation and cellular activity

The features of the crystal structures of seven chiral [1,2,3]tri­az­olo[5,1-b][1,3,4]thia­dia­zines are presented and the conformations of the mol­ecules in the crystals are discussed. Some data are presented on the cellular activity of the com­pounds.

Synthesis, crystal structure and docking studies of tetra­cyclic 10-iodo-1,2-di­hydro­iso­quinolino­[2,1-b][1,2,4]benzo­thia­diazine 12,12-di­oxide and its precursors

The synthesis and characterization, crystal structures and DNA docking studies of a tetra­cyclic iso­quinolino­benzo­thia­diazine and its two precursors are reported.

Crystal structure, thermal properties and detonation characterization of bis­(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride

The one-dimensional structure of BATZM·Cl₂ can be described as a rhombic helix. The com­pound crystallizes in the monoclinic space group C2/c with Z = 4. Electrostatic attraction and extensive hydrogen bonding yields a dense three-dimensional structure.

Structural characterization of the derivatives of bis­{[2,6-(di­methyl­amino)­meth­yl]phen­yl} selenide with palladium(II) and mercury(II)

The synthesis and structures of three related com­pounds are reported, namely, a diorgano selenide and its palladium(II) and mercury(II) com­plexes. In the com­plexes, the ligand is coordinated to the Pd atom via N and arene C atoms, while it is coordinated to the Hg atom via Se and N atoms.

Concomitant polymorphic forms of 3-cyclo­propyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxa­diazole

The dipharmacophore com­pound 3-cyclo­propyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxa­diazole has been synthesized and two concomitant polymorphs have been thoroughly studied. The application of classical and periodic quantum chemical calculations identified a difference in the crystal packing, which is classified as an isotropic packing of dimers in the triclinic form and as a columnar packing of mol­ecules in the ortho­rhom­bic form.