L. Khedhiri

Synthesis, Structure, and Physicochemical Studies of Hexakis (5-Chloro-2,4-dimethoxyanilinium)cyclohexaphosphate Tetrahydrate

The physicochemical properties of a new organic cyclohexaphosphate, [5-Cl-2,4-(OCH3)2C6H2-NH3]6P6O18·4H2O, are discussed on the basis of an X-ray crystal structure investigation. This compound crystallizes in the monoclinic space group C2/c, with cell parameters a = 37.987(7) Å, b = 13.125(4) Å, c = 14.331(5) Å, β = 98.21(3)°, Z = 4, V = 7072(3) Å3. Its crystal structure is determined and refined to a final R = 0.058 for 5223 independent reflections. The atomic arrangement can be described as a layer organization built up by P6O18 ring anions and water molecules. Between these layers, the organic groups are located that form hydrogen bonds with oxygen atoms of P6O18 rings and water molecules. Intermolecular π–π stacking interactions between two neighboring organic cation rings help to establish the crystal packing. Solid 31P MAS-NMR spectroscopy is in agreement with X-ray structure. Ab initio calculations allow the attribution of the three phosphorus signals to the independent crystallographic sites. This compound is also characterized by thermal analysis and IR spectroscopy. Supplemental materials are available for this article. Go to the publishers online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.

Synthesis and Characterization of a new Cyclohexaphosphate, (C9H14N)4(H3O)2(P6O18)

AbstractThe physicochemical properties of a new cyclohexaphosphate, (C9H14N)4(H3O)2(P6O18), prepared by an acid-base reaction between cyclohexaphosphoric acid H6P6O18 and 2,4,6-trimethylaniline, are discussed on the basis of X-ray crystal structure investigation. The crystal structure determination reveals that the complete cyclohexaphosphate anion, with chair conformation, is generated by crystallographic inversion symmetry. The asymmetric unit consists of two organic cations, one half-anion and one hydronium cation. The atomic arrangement can be described by thick layers built by P6O18 anions and H3O+ cations parallel to the (a, b) plane. Each cyclohexaphosphate group is connected to its adjacent neighbors by six hydronium ions through strong O-H...O hydrogen bonds. The protonated amines are located between these successive inorganic layers, in order to balance the negative charge of the inorganic framework by establishing N–H...O hydrogen bonds with the O atoms of the P6O18 anions. The three-dimensional cohesion is assured by different interactions (electrostatic, H-bonds, van der Waals) established between the various molecular components. This compound is also characterized by infrared spectroscopy and solid state MAS-NMR. Graphical AbstractStructure and physicochemical properties of a new cyclohexaphosphate, (C9H14N)4(H3O)2(P6O18), are discussed on the basis IR spectrum, solid state MAS-NMR and X-ray crystal structure. The cyclohexaphosphate anion, with chair conformation, is generated by crystallographic inversion symmetry. The atomic arrangement can be described by thick layers built by P6O18 anions and H3O+ cations parallel to the (a, b) plane. Each cyclohexaphosphate group is connected to its adjacent neighbors by six hydronium ions through strong O-H…O hydrogen bonds.

Bis(3-azoniapentane-1,5-diaminium) cyclo-hexa-phosphate dihydrate: a monoclinic polymorph.

In the title hydrated molecular salt, 2C4H16N3 3+·P6O18 6−·2H2O, the complete cyclohexaphosphate anion is generated by crystallographic inversion symmetry. The six P atoms of the P6O18 6− anion form a chair conformation and the organic cation has a corrugated linear geometry. In the crystal, the cations and the anions are connected by N—H⋯O hydrogen bonds into slabs propagating in the ac plane. The water molecules link the slabs by accepting N—H⋯O links and forming O—H⋯O links. The triclinic polymorph was reported by Gharbi et al. [(1995). J. Solid State Chem. 114, 42–51].

New Organic Acidic Cyclohexaphosphate: Synthesis, Crystal Structure, Physicochemical Study, and In Vitro Biochemical Investigation

A novel organic cyclohexaphosphate [o-(OCH3)C6H4NH3]4H2P6O18·4H2O (1) has been synthesised by the slow evaporation method. An X-ray diffraction study on a single crystal was used to identify this compound. It shows that this acidic cyclohexaphosphate crystallizes in the monoclinic space group P21/n with V 2215.1(1) A3 and Z 2. Its crystal structure is a packing of alternating inorganic and organic layers parallel to the (a, c) planes. Crystal symmetry is confirmed by 31P magic angle spinning-NMR spectroscopy. Furthermore, spectroscopic (IR, UV-visible) and thermal (thermogravimetric/differential thermal analysis and differential scanning calorimetry) characteristics are given. The excitation and emission spectra were recorded showing blue photoluminescence. The alternating current conductivity and dielectric measurements were carried out in the temperature range 333–403 K and the frequency range from 5 Hz to 13 MHz. The impedance data were well fitted to an equivalent electrical circuit. The temperature dependence of the direct current conductivity follows the Arrhenius law and the frequency dependence of σAC(ω,T) follows Jonscher’s universal law. Antioxidant properties of this compound were studied, in vitro, at various concentrations with different tests; 1,1-diphenyl-2-picrylhydrazyl, hydroxyl scavenging ability, ferric reducing power, and ferrous ion chelating ability, using ascorbic acid as control.

Synthesis, crystal structure and magnetic properties of 1-(2,5-dimethylphenyl)piperazine-1,4-dium tetrachloridocuprate(II)

AbstractThe synthesis and physico-chemical characterization of a novel organic-inorganic hybrid material, 1-(2,5-dimethylphenyl)piperazine-1,4-dium tetrachloridocuprate(II), have been reported. This compound crystallizes in the monoclinic system with the space group of P21/n and cell parameters a = 9.833(3), b = 16.337(2), c = 10.452(3) Å, β = 102.13(4)∘, Z = 4 and V = 1641.5(7) Å 3. In the title salt, (C12H20N2)[CuCl4], the geometry of the CuCl42−

Molecular conformation and structural changes in crystalline photochromism of 3-furylfulgide

_{4}^{\mathrm {~2-}}

Synthesis, structure, and physicochemical studies of hexakis(2,4-dimethylanilinium) cyclohexaphosphate hexahydrate

ion is intermediate between tetrahedral and square planar. In the atomic arrangement tetrachlorocuprate anions and the piperazine-1,4-dium cations are held together via N-H …Cl and C-H …Cl to give a 1-D hybrid chain running along the a-axis. The six-membered piperazinedium ring adopts a chair conformation. The vibrational absorption bands were identified by infrared spectroscopy. Magnetic measurements reveal that moderate antiferromagnetic (AF) Cu–Cu interactions dominate in the title compound. Graphical AbstractThe synthesis and the physico-chemical characterization of a novel organic-inorganic hybrid material, 1-(2,5-dimethylphenyl)piperazine-1,4-dium tetrachloridocuprate(II), is reported.