Structural analysis of inter­penetrated methyl-modified MOF-5 and its gas-adsorption properties

We report the controlled synthesis of non-inter­penetrated and inter­penetrated methyl-modified MOF-5, which exhibit different pore structures. These com­pounds were prepared via a solvo­thermal synthesis, in which the choice of solvent is of critical importance.

A two­fold inter­penetrating two-dimensional zinc(II) coordination polymer: synthesis, crystal structure and physical properties

A zinc(II) com­pound, prepared by the reaction of Zn(NO₃)₂·6H₂O with naphthalene-2,6-di­carb­oxy­lic acid and 1,3-bis­(2-methyl-1H-imidazol-1-yl)benzene in a mixture of H₂O and di­methyl­formamide, possesses a two­fold inter­penetrating two-dimensional network. The com­pound exhibits strong fluorescence emissions and a high photocatalytic activity for the degradation of Rhodamine B (RhB) under UV-light irradiation.

A rare octa­coordinated mononuclear iron(III) spin-crossover com­pound: synthesis, crystal structure and mag­netic properties

Deprotonation of an ionogenic tetra­dentate bipyridine ligand resulted in the synthesis of a rare octa­coordinated anionic mononuclear iron(III) com­plex. An investigation of the mag­netic properties revealed a gradual incom­plete spin-crossover behaviour below 150 K.

A novel three-dimensional tetra­nuclear Co^II coordination polymer with water hexa­mers based on the V-shaped tetra­carboxyl­ate ligand 4-(2,4-di­carb­oxylato­phen­oxy)phthalate

A novel three-dimensional tetra­nuclear Co^II coordination polymer (CP), with water hexa­mers and a (3,8)-connected topological network, was assembled by the 4-(2,4-di­carb­oxy­phen­oxy)phthalic acid ligand. The thermal stability and magnetic properties of this CP have been investigated.

Synthesis, structural characterization, and electronic structure of the novel Zintl phase Ba₂ZnP₂

The crystal structure of Ba₂ZnP₂ has been determined from single-crystal X-ray diffraction data. The structure features infinite chains formed by edge-shared [ZnP₄] tetra­hedra, [ZnP₂]⁴⁻, separated by Ba²⁺ cations. Computational analysis reveals that Ba₂ZnP₂ is an intrinsic semiconductor with an estimated band gap of ca 0.6 eV.

Synthesis, structure and in vitro cyto­toxicity testing of some 2-aroylbenzo­furan-3-ols

Nine 2-aroyl-5-bromo/iodo­benzo­furan-3-ol compounds were synthesized, of which four were further characterized by single-crystal X-ray diffraction. Six compounds show promising in vitro cyto­toxicity on four human cancer cell lines.

4-Styryl­quino­lines from cyclo­condensation reactions between (2-amino­phen­yl)chalcones and 1,3-diketones: crystal structures and regiochemistry

Structures are reported for two sets of substituted 4-styryl­quino­lines formed by reactions of (2-amino­phen­yl)chalcones either with pentane-2,4-dione or, regiospecifically, with ethyl 3-oxo­butano­ate.

Crystal structure, thermal behaviour and detonation characterization of bis­(4,5-di­amino-1,2,4-tria­zol-3-yl)methane monohydrate

The structure of bis­(4,5-di­amino-1,2,4-triazol-3-yl)methane monohydrate (BDATZM·H₂O) can be described as a two-dimensional ladder plane with extensive hydrogen bonding and no disorder. The extensive hydrogen bonding yields a structure with one-, two- and three-dimensional networks. The presence of the amino group increases the hydro­philicity, space utilization and energy, and decreases the thermal stability and symmetry of the com­pound.

Combining valproate and bi­pyridyl ligands to construct a 0D core-shell Zn₅(μ₃-OH)₂ cluster and a 2D layered coordination network with a [Zn₃(μ₃-OH)]₂ SBU

The self-assembly of a branched short-chain fatty acid (valproic acid) and Zn ions in the presence of bi­pyridine ligands generates a core-shell-like 0D Zn₅(μ₃-OH)₂ cluster and a 2D layered coordination network with a [Zn₃(μ₃-OH)]₂ secondary building unit. The branched alkyl chain of the acid serves as protection for the cores or layers of metal atoms.

Crystallographic evidence for unintended benziso­thia­zolinone 1-oxide formation from benzo­thia­zinones through oxidation

X-ray crystallography revealed the unintended formation of benziso­thia­zolinone 1-oxides from 1,3-benzo­thia­zin-4-ones through oxidation instead of the anti­cipated benzo­thia­zinone sulfones, which would be constitutional isomers.

Revisiting the absolute chirality and polymorphism of (–)-Istanbulin A

The natural product (−)-Istanbulin A was isolated from Senecio filaginoides DC and the chirality is described as 4S,5R,8R,10S based on single-crystal X-ray diffraction studies. (−)-Istanbulin A corresponds to a polymorph of a previously reported form of (−)-Istanbulin A (form I) and this is the first time that polymorphism has been reported in the Istanbulin family.

Conformational poly­morphism in a cobalt(II) di­thio­carbamate com­plex

Two poly­morphs of [Tp^Ph2Co(S₂CNBu₂)] [Tp^Ph2 is tris­(3,5-di­phenyl­pyrazol­yl)hydro­borate] are reported which are accessible by recrystallization from di­chloro­methane–methanol or by slow evaporation of aceto­nitrile. The poly­morphs differ in the orientation of the butyl group, being trans in the ortho­rhom­bic poly­morph and cis in the triclinic poly­morph.

Synthesis and structures of three isoxazole-containing Schiff bases

Three {[(isoxazol-3-yl)imino]­meth­yl}phenols were synthesized and structurally characterized. All three structures contain an intra­molecular O—H⋯N hydrogen bond and none were found to be strongly thermochromic.

Chemistry of transition-metal com­plexes containing functionalized phosphines: synthesis and structural analysis of rhodium(I) com­plexes containing allyl and cyano­alkylphosphines

A set of rhodium com­plexes involving functionalized allyl- and cyano­alkyl­phosphines shows an inverse dependence between the Rh—P distance and the coupling constant J_P-Rh and the IR ν(C≡O) bands, which account for the poor π-acceptor Rh—P electronic bonding feature of these ligands.