Two coordination polymers constructed by 5-[(4-carb­oxy­phen­oxy)meth­yl]benzene-1,3-di­car­boxy­lic acid and 2,2′-bi­pyridine: syntheses, structures and luminescence properties

New Cd^II and Mn^II coordination polymers (CPs) have been prepared using 5-[(4-carb­oxy­phen­oxy)meth­yl]benzene-1,3-di­carb­oxy­lic acid and 2,2′-bi­pyridine under hydro­thermal conditions. The former CP displays a 3D supra­molecular structure extended from 2D layers by inter­molecular π–π inter­actions, while the latter shows a different 3D supra­molecular structure extended from 1D ladder chains by inter­molecular π–π inter­actions. The results suggest that the metal ion and π–π inter­actions play important roles in the design and construction of various CPs.

The dehydration process in the DL-phenyl­glycinium tri­fluoro­methane­sulfonate monohydrate crystal revealed by XRD, vibrational and DSC studies

The crystal of DL-phenyl­glycinium tri­fluoro­methane­sulfonate monohydrate dehydrates in one step at 353 K and is preceded by a weakening of the aromatic ring–aromatic ring inter­actions. The loss of water is accom­panied by the breakage of medium-strength hydrogen bonds and the rearrangement of ions inside layers. The dehydration process induces a single-crystal-to-poly-crystal transformation.

Structural diversity, magnetic properties and luminescence of Ni^II, Co^II and Zn^II coordination polymers derived from 3,3′-[(5-carb­oxy-1,3-phenyl­ene)bis­(­oxy)]di­benzoic acid and 1,10-phenanthroline

Three coordination polymers based on 3,3′-[(5-carb­oxy-1,3-phenyl­ene)bis­(­oxy)]di­benzoic acid and 1,10-phenanthroline have been prepared and structurally characterized, and the magnetic properties of the Ni^II/Co^II com­plexes and the luminescence properties of the Zn^II com­plex were investigated.

Band gap, sorption properties and fluorescence sensing behaviour of a novel 1D→2D cathenane-like cobalt(II)–organic framework

A novel multifunctional 1D→2D inter­penetrating Co^II–organic framework was successfully constructed using 2-amino-5-sulfo­benzoic acid and 1,4-bis­[(imidazol-1-yl)meth­yl]benzene as ligands.

Crystal structure of a high-pressure phase of magnesium chloride hexa­hydrate determined by in-situ X-ray and neutron diffraction methods

A structural study of a high-pressure phase of magnesium chloride hexa­hydrate (MgCl₂·6H₂O-II) showed symmetry reduction of the crystal structure from its ambient-pressure phase. This change is induced by modification of the hydrogen-bond network.

Bis(tetra­phenyl­arsonium) hexa­fluorido­technetate(IV) dihydrate: preparation, structure and spectroscopic analysis

The salt bis­(tetra­phenyl­arsonium) hexa­fluorido­technetate(IV) dihydrate, (AsPh₄)₂[TcF₆]·2H₂O, was prepared for the first time from a cation metathesis reaction of (NH₄)₂[TcF₆] in water.

Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives

Three new aminocoumarin derivatives show hydrogen bonds and rich π–π stacking, together with π⋯H inter­actions. They display absorption maxima in the visible region, attributed to π–π delocalization involving the whole electronic system of the com­pounds with a considerable charge-transfer character originating from the amino­phenyl ring and pointing towards the coumarin system which is characterized by a high electron-accepting character.

The photochromic behaviour of two viologen salts modulated by the distances between the halide anions and the cationic N atoms of viologen

Two isomorphic viologen derivatives both possess only one electron-transfer pathway, but they exhibit different photoresponsive behaviours relating to the distances between the halide anions and the cationic N atoms of 1-(2-cyano­benz­yl)-4,4′-bi­pyri­din­ium.

Mechanochemical synthesis and X-ray structural characterization of three 3-nitro­phenol cocrystals with three aminal cage aza­adamantanes: the role of the stereoelectronic effect on inter­molecular hydrogen-bonding patterns

The structures of the cocrystalline adducts of 3-nitro­phenol with 1,3,5,7-tetra­aza­tri­cyclo­[3.3.1.1^3,7]decane, 1,3,6,8-tetra­aza­tri­cyclo­[4.3.1.1^3,8]undecane and 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1^3,8]dodecane are reported. The three cocrystals were obtained by the solvent-free assisted grinding method.

Five solvates of a multicom­ponent pharmaceutical salt formed by berberine and diclofenac

A multicom­ponent pharmaceutical salt formed by the iso­quinoline alkaloid berberine (BBR) and the nonsteroidal anti-inflammatory drug diclofenac (DIC) was discovered. Five solvates of the BBR–DIC salt were obtained and their crystal structures determined.

Synthesis and structural characterization of iridium(I) com­plexes of 20-membered macrocyclic rings bearing chelating bis­(N-heterocyclic carbene) ligands

The reactivities of two 20-membered macrocyclic ligands, each containing two N-heterocyclic carbene (NHC) and two amine groups, towards [IrCl(COD)]₂ (COD is cyclo­octa-1,5-diene) were investigated.

Dinuclear cobalt and nickel com­plexes of a mercapto­acetic acid substituted 1,2,4-triazole ligand: syntheses, structures and urease inhibitory studies

Dinuclear cobalt(II) and nickel(II) com­plexes were obtained from a mercapto­acetic acid substituted 1,2,4-triazole ligand. The com­plexes show distinct supermolecular structures because of the different coordinated and guest mol­ecules, and both show potent urease inhibitory activity.

A novel (3,6)-connected Cd^II coordination polymer based on an ether-linked tri­carboxyl­ate ligand: synthesis, topology and luminescence sensing properties in aqueous solution

A novel (3,6)-connected Cd^II coordination polymer based on an ether-linked tri­carboxyl­ate ligand has been synthesized, structurally studied and shows good stability and promising luminescence sensing properties.

The first example of the stereoselective synthesis and crystal structure of a spirobi­cyclo­quinazolinone based on (–)-fenchone and anthranilamide

The possibility of a one-stage solvent-free stereoselective synthesis of a spiro­cyclic quinazoline derivative is described for the first time. An X-ray diffraction study of the crystal structure of the chiral spiro­cyclic com­pound obtained was carried out and its porosity was studied.

Synthesis, spectroscopic (FT–IR and UV–Vis), crystallographic and theoretical studies, and a mol­ecular docking simulation of an imatinib-like template

4-(Pyridin-2-yl)pyrimidin-2-amine is structurally distinct with respect to the position of the N atom in the pyridine ring com­pared with the structure of imatinib, which is an excellent inhibitor of Bcr-Abl tyrosine kinase. The inter­action energies of this relatively small ligand in the active pocket of the protein indicate its potential.

Three Ag^I, Cu^I and Cd^II coordination polymers based on the new asymmetrical ligand 2-{4-[(1H-imidazol-1-yl)meth­yl]phen­yl}-5-(pyridin-4-yl)-1,3,4-oxa­diazole: syntheses, characterization and emission properties

Three coordination polymers self-assembled from a new asymmetrical oxa­diazole-containing ligand and AgPF₆, CuI and Cd(NO₃)₂ are reported, together with their structural characterization and photoluminescence properties.