Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hy­droxy acid

The solid-state conformational and hydrogen-bonding analyses of four linear depsipeptides with an alternating sequence of an α,α-disubstituted α-amino acid and an α-hy­droxy acid are reported. All of the mol­ecules exhibit β-turn conformations.

A self-penetrated three-dimensional zinc(II) coordination framework based on 4,4′,4′′-(1,3,5-triazine-2,4,6-tri­yl)tri­benzoic acid and 1,3-bis­[(imidazol-1-yl)meth­yl]benzene ligands: synthesis, structure and properties

In order to explore the applications of metal–organic frameworks (MOFs) constructed by 4,4′,4′′-(1,3,5-triazine-2,4,6-tri­yl)tri­benzoic acid and 1,3-bis­[(imidazol-1-yl)meth­yl]benzene ligands for fluorescence applications, the Zn^II ion was selected to synthesize a new MOF. The resulting MOF offers a 3,4-connected three-dimensional self-penetrated framework.

An unusual partial occupancy of labile chloride and aqua ligands in cocrystallized isomers of a nickel(II) com­plex bearing a tripodal N₄-donor ligand

The crystal structure of a novel nickel(II) com­plex bearing a tripodal N₄-donor ligand revealed an unusual partial occupancy of labile cis aqua and chloride ligands, resulting in cocrystallized isomers and crystallographic disorder.

A Co-MOF with a (4,4)-connected binodal two-dimensional topology: synthesis, structure and photocatalytic properties

A Co-MOF with a (4,4)-connected 2-nodal two-dimensional (2D) topology was synthesized using the long tetrapodal ligand 1,1,2,2-tetra­kis­[4-(1H-1,2,4-triazol-1-yl)phen­yl]ethyl­ene (ttpe) and benzene-1,4-di­carb­oxy­lic acid (1,4-H₂bdc). The 2D networks capture free neutral 1,4-H₂bdc molecules and bdc²⁻ anions, and construct a three-dimensional supra­molecular architecture via hydrogen-bonding inter­actions.

Influence of the position of the methyl substituent and N-oxide formation on the geometry and inter­molecular inter­actions of 1-(phen­oxy­eth­yl)piperi­din-4-ol derivatives

In a series of amino­alkanol derivatives, the position of methyl substitution influences significantly the conformation of the O—C—C linker due to intra­molecular inter­actions involving the ortho substituent, as well as steric hindrance. The formation of the N-oxide and the occurrence of a zwitterion influences the linker geometry and also the position of the hy­droxy group in the piperidine ring, which changes from equatorial to axial.

One-pot concomitant preparation of two copper(II) coordination polymers with different configurations of bridging bi­thiophene ligands

The mol­ecular conformation of a conjugated bi­thio­phene ligand under solvothermal conditions produced two different Cu^II coordination polymers.

Synthesis, crystal structures, anti­proliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil

Eight novel Schiff bases derived from indole/naphthalene and benzil have been designed, synthesized, fully characterized and theoretically investigated. As part of our systematic work exploring this kind of Schiff base, the present results provide preliminary structure–activity relationships concerning the indole ring, methyl-group replacements and mono/di-Schiff bases.

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

The structure of BATZM can be described as a V-shaped mol­ecule with reasonable chemical geometry and no disorder. The com­pound crystallizes in the ortho­rhom­bic space group Fdd2 with Z = 8. Extensive hydrogen bonding yields a dense three-dimensional structure.

Biological properties of two enanti­omorphic forms of N-(2,6-di­methyl­phen­yl)-4-hy­droxy-2,2-dioxo-1H-2λ⁶,1-benzo­thia­zine-3-carboxamide, a structural analogue of piroxicam

Two enanti­omorphic crystal forms of N-(2,6-di­methyl­phen­yl)-4-hy­droxy-2,2-dioxo-1H-2λ⁶,1-benzo­thia­zine-3-carboxamide have been crystallized from different solvents. A pharmacological study showed that one possesses a high analgesic activity, while the other revealed a strong anti-inflammatory activity. The ability to become a stereogenic centre due to the non-equivalence of its O atoms in hydrogen-bond formation is a property of the ring sulfonyl group.

Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism

Four novel norcantharidine derivatives have been designed, synthesized, fully characterized and theoretically investigated. By com­paring the crystal structures of four pairs of similar mol­ecules, two new cases of conditional isomorphism were found.

Crystal structures and biological activity of 1,1,4-tri­phenyl-substituted 1,3-enyne com­pounds

A series of three 1,1,4-triphenyl-substituted 1,3-enynes have been structurally characterized by X-ray diffraction at 100 K. Biological tests for one enyne revealed that it inhibited the growth of Aspergillus niger. Such 1,3-enynes find widespread applications in organic synthesis and biological tests.

Chromium com­plexes bearing disubstituted organophosphate ligands and their use in ethyl­ene polymerization

Novel chromium com­plexes with disubstituted phosphate anions exhibit dinuclear cores, terminal and bridging organophosphate coordination modes, and hydrogen bonding in their crystal structures. As precatalysts, the com­plexes are capable of polymerizing ethyl­ene.

Conformational flexibility in amido­phospho­esters: a CSD analysis com­pleted with two new crystal structures of (C₆H₅O)₂P(O)X [X = NHC₇H₁₃ and N(CH₂C₆H₅)₂]

The conformational flexibilities of two new amido­phospho­ester structures with an (O)₂P(O)(N) skeleton and 118 analogous structures from the Cambridge Structural Database were studied.