Triaqua-1κO,2κ2 O-bis­(2,2′-bipyridine)-1κ2 N,N′;2κ2 N,N′-chlorido-1κCl-μ-terephthalato-1:2κ2 O 1:O 4-dicopper(II) nitrate monohydrate

In the binuclear title compound, [Cu2(C8H4O4)Cl(C10H8N2)2(H2O)3]NO3·H2O, the two crystallographically independent CuII ions have similar coordination environments. One of the CuII ions has a square-pyramidal arrangement, which is defined by a water mol­ecule occupying the apical position, with the equatorial ligators consisting of two N atoms from a 2,2′-bipyridine mol­ecule, one carboxyl­ate O atom from a terephthalate ligand and one O atom from a water mol­ecule. The other CuII ion has a similar coordination environment, except that the apical position is occupied by a chloride ligand instead of a water mol­ecule. An O—H⋯O and O—H⋯Cl hydrogen-bonded three-dimensional network is formed between the components

Dichlorido(4′-ferrocenyl-2,2′:6′,2′′-terpyridine-κ3 N,N′,N′′)zinc acetonitrile monosolvate

The title complex, [FeZn(C5H5)Cl2(C20H14N3)]·CH3CN, is composed of one ZnII atom, one 4′-ferrocenyl-2,2′:6′,2′′-terpyridine (fctpy) ligand, two Cl atoms and one acetonitrile solvent mol­ecule. The ZnII atom is five-coordinated in a trigonal–bipyramidal geometry by the tridentate chelating fctpy ligand and two Cl atoms

1-(2-Naphth­yl)-3-phenyl­prop-2-en-1-one

The title compound, C19H14O, contains two independent mol­ecules with the same s-cis conformation for the ketone unit. Both mol­ecules are non-planar with dihedral angles of 51.9 (1) and 48.0 (1)° between the benzene ring and the naphthalene ring system. In the crystal, neighboring mol­ecules are stabilized by intermolecular C—H⋯π inter­actions, giving a two-dimensional supra­molecular array parallel to the ab plane

(4′-Ferrocenyl-2,2′:6′,2′′-terpyridine-κ3 N 1,N 1′,N 1′′)(1,10-phenanthroline-κ2 N,N′)zinc(II) bis­(perchlorate) acetonitrile monosolvate

In the title complex, [FeZn(C5H5)(C20H14N3)(C12H8N2)](ClO4)2·CH3CN, the ZnII atom is five-coordinated by a tridentate chelating 4′-ferrocenyl-2,2′:6′,2′′-terpyridine (fctpy) ligand and a bidentate chelating 1,10-phenanthroline (phen) ligand in a distorted square-pyramidal environment with a phen N atom located at the apical position [Zn—N = 2.259 (4) Å]. The terpyridyl motif in each fctpy ligand is coplanar, but the cyclo­penta­dienyl ring is twisted by 9.5 (2)° out of coplanarity with each central pyridine. The two cyclo­penta­dienyl rings of the ferrocenyl group are almost eclipsed with a deviation of 4.5 (1)°. In addition, inter­molecular π–π inter­actions [centroid–centroid distance 3.753 (2) Å] are present between the cyclo­penta­dienyl and outer pyridyl rings of the fctpy ligands. One of the perchlorate anions is equally disordered over two positions

Simultaneous determination of human plasma protein binding of bioactive flavonoids in Polygonum orientale by equilibrium dialysis combined with UPLC–MS/MS

AbstractA simple and selective ultra performance liquid chromatography–electrospray ionization tandem mass spectrometry (UPLC–ESI-MS/MS) assay was developed for the determination of the human plasma protein binding of four bioactive flavonoids (such as orientin and vitexin) in Polygonum orientale. Protein precipitation was used for sample preparation. Equilibrium dialysis technique was applied to determine the plasma protein binding under physiological conditions. The separation was achieved through a Waters C18 column with a mobile phase composed of 0.1% formic acid in acetonitrile and 0.1% aqueous formic acid using step gradient elution at a flow rate of 0.35mL/min. A Waters ACQUITY™ TQD system was operated under the multiple reaction monitoring (MRM) mode of positive electrospray ionization. All of the recovery, precision, accuracy and stability of the method met the requirements. Good correlations (r>0.99) of the four compounds were found, which suggested that these compounds can be simultaneously determined with acceptable accuracy. Results showed that the plasma protein bindings of the four bioactive flavonoids were in the range of 74–89% over the six concentrations studied. The binding parameters containing protein binding affinity, protein binding dissociation constant, and protein binding site were studied. The maximum ability to bind with protein was also determined in the assay in order to understand the drug-protein binding of each compound better

1,5-Bis(4-chloro­phen­yl)-3-(2-thien­yl)pentane-1,5-dione

In the title mol­ecule, C21H16Cl2O2S, the five-membered ring is rotationally disordered between two orientations in a 1:1 ratio. In the crystal structure, weak inter­molecular C—H⋯O hydrogen bonds link mol­ecules related by translation along the a axis into chains, which are further combined into layers parallel to the bc plane via C—H⋯π inter­actions. The crystal studied was a racemic twin with a 0.37 (19):0.63 (19) domain ratio

(4′-Ferrocenyl-2,2′:6′,2′′-terpyridine-κ3 N,N′,N′′)(1,10-phenanthroline-κ2 N,N′)copper(II) bis(perchlorate) acetonitrile solvate

The title complex, [CuFe(C5H5)(C20H14N3)(C12H8N2)](ClO4)2·C2H3N, consists of a mononuclear [Cu(C12H8N2)(C25H19FeN3)]2+ cation, two ClO4 − anions (one of which is disordered over two positions with equal occupancy) and one CH3CN solvent mol­ecule. The CuII center has a distorted square-pyramidal coordination with three N atoms of the 4′-ferrocenyl-2,2′:6′,2′′- terpyridine (fctpy) ligand and one 1,10-phenanthroline (phen) N atom in the basal plane and a second phen N atom in the apical position with an axial distance of 2.254 (4) Å. The disordered ClO4 − anion is weakly coordin­ated to the CuII ion with a Cu—O distance of 2.766 (11) Å. The two cyclo­penta­dienyl rings of the ferrocenyl group are almost eclipsed with a deviation of 4.7 (1) °, and are involved in inter­molecular π–π inter­actions with the outer pyridyl rings of the fctpy ligands [centroid–centroid distance = 3.759 (2) Å.]