A two-dimensional copper(II) coordination polymer based on 2,4′-oxybis(benzoate) and 4,4′-bi­pyridine

This work demonstrates that flexible di­carboxyl­ate ligands can be employed with Cu^II ions and linear N,N′-donor ligand systems to produce a two-dimensional wave-like network coordination polymer. The two-dimensional layers are expanded into a three-dimensional supra­molecular structure through inter­molecular O—H⋯O and C—H⋯O hydrogen bonds.

A novel tubular hydrogen-bond pattern in a new di­aza­phosphole oxide: a combination of X-ray crystallography and theoretical study of hydrogen bonds

The first X-ray diffraction study of an (R¹NH)P(O)(NH)₂X di­aza­phosphole oxide (R¹ and X are hydro­carbon groups) reveals that each mol­ecule is connected with four neighbouring mol­ecules through (N—H)₂⋯O hydrogen bonds. These hydrogen bonds form a tubular arrangement along the [001] direction.

A one-dimensional copper(II) coordination polymer incorporating succinate and N,N-di­ethyl­ethyl­ene­diamine ligands: crystallographic analysis, vibrational and surface features, and DFT analysis

The reaction of copper sulfate with succinic acid (H₂succ) and N,N-di­ethyl­ethylenedi­amine (deed) produces a complex in which the metal centres are bridged by succinate ligands to form one-dimensional polymeric chains. Density functional theory (DFT) calculations were used to support the experimental data and a good linear correlation was observed between the experimental and theoretically predicted structural and spectroscopic parameters.

A whole zoo of hydrogen bonds in one crystal structure: tris­(isonicotinium) hydrogensulfate sulfate monohydrate

Proton transfer from sulfuric acid to isonicotinic acid leads to a salt in which a wide range of hydrogen bonds link the ionic residues. Hydrogensulfate and sulfate anions subtend the shortest O—H⋯O contact of 2.4752 (19) Å.

N-Benzyl­nicotinamide and N-benzyl-1,4-di­hydro­nicotinamide: useful models for NAD⁺ and NADH

The crystal structure of 3-amino­carbonyl-1-benzyl­pyridinium bromide is reported, together with an improved-resolution structure of 1-benzyl-1,4-di­hydro­pyridine-3-carboxamide. Taken together, these two crystal structures represent the most complete high-resolution structure model for the reactive portion of both NAD(P)⁺ and NAD(P)H.

Supra­molecular inter­actions in carboxyl­ate and sulfonate salts of 2,6-di­amino-4-chloro­pyrimidinium

The new salts 2,6-di­amino-4-chloro­pyrimidinium 2-carb­oxy-3-nitro­benzoate and 2,6-di­amino-4-chloro­pyrimidinium p-toluene­sulfonate monohydrate have been synthesized and characterized by X-ray crystallography and their noncovalent inter­actions investigated.

A cadmium(II) coordination polymer with both polyrotaxane and polycatenane features constructed by a V-shaped semi-rigid ligand: synthesis and fluorescence properties

A two-dimensional cadmium(II) coordination polymer was synthesized based on the V-shaped semi-rigid ligand 4,4′-[oxybis(4,1-phenyl­ene)]di­pyridine. In this structure, two identical two-dimensional (2D) layers are inter­penetrated in a parallel fashion, resulting in a 2D→2D framework with both polyrotaxane and polycatenane features. The structure is further extended into a three-dimensional supra­molecular network by extensive hydrogen bonds.

Design, synthesis, crystal structure and in vitro cytotoxic properties of a novel Schiff base derived from indole and biphen­yl

A novel Schiff base derived from indole and biphenyl has been designed, synthesized and fully characterized. Mol­ecular docking indicated a good di­hydro­orotate de­hydrogenase (DHODH) inhibitory activity and in vitro inhibition evaluation against lung and breast cancer cell growth proved the prediction.

Conformational study of the 3,6-di­hydro-2H-1,4-oxazin-2-one fragment in 8-tert-butyl-7-meth­oxy-8-methyl-9-oxa-6-aza­spiro­[4.5]decane-2,10-dione stereoisomers

The crystal structures of two 8-tert-butyl-7-meth­oxy-8-methyl-9-oxa-6-aza­spiro­[4.5]decane-2,10-dione enanti­omers obtained by a method of stereoselective synthesis are stabilized by C—H⋯O hydrogen bonding, resulting in the formation of chains along the [100] and [010] directions. The conformation of the 3,6-di­hydro-2H-1,4-oxazin-2-one fragment was compared with other crystal structures possessing this heterocyclic moiety.

Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent mol­ecules in the packing organization

The solvated/unsolvated character of the crotonate and salicylate salts of lamotriginium gives rise to extremely different hydrogen-bonded packing structures from the same elemental motifs.

Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors

A series of three iron complexes ligated by the pyrrole-based 2,5-bis­[(diiso­propyl­phosphan­yl)meth­yl]pyrrolide (PN^pyrP) pincer ligand are described. These complexes are possible precursors to new iron catalysts.

Synthesis and crystal structures of two structurally related kryptoracemates

Two new kryptoracemates have been discovered. The asymmetric unit of these crystals contains two enanti­omers, which are not related by any proper symmetry element. Although the two enanti­omers have a very similar conformation, they are not transferable into each other by any symmetry element. In the crystal, mol­ecules are connected by inter­molecular N—H⋯O hydrogen bonds to form chains or layered structures.

Crystal structures of sodium magnesium selenate deca­hydrate, Na₂Mg(SeO₄)₂·10H₂O, a new selenate salt, and sodium magnesium selenate dihydrate, Na₂Mg(SeO₄)₂·2H₂O

The crystal structures of sodium magnesium selenate deca­hydrate, Na₂Mg(SeO₄)₂·10H₂O, a new selenate salt, and sodium magnesium selenate dihydrate, Na₂Mg(SeO₄)₂·2H₂O, are described and compared.