Growth, crystal structure, Hirshfeld surface analysis, DFT studies, physicochemical characterization, and cytotoxicity assays of novel organic triphosphate.

A novel organic-inorganic hybrid compound, named (1-phenylpiperazinium) trihydrogen triphosphate, with the formula (CHN)HPO has been obtained by low speed of evaporation of a mixture of an alcoholic solution of 1-phenylpiperazine and triphosphoric acid HPO at room temperature after using the ion exchange chemical procedure. To carry out a detailed crystallographic structure analysis, single-crystal X-ray diffraction has been reported. In the molecular arrangement, the different entities are held together through N-HO, O-HO, and C-HO hydrogen bonds, building up a three-dimensional packing.

Crystal structure of 2-methyl-piperazine-1,4-diium bis-(hydrogen maleate).

In the title salt, C5H14N2 (2+)·2C4H3O4 (-), the asymmetric unit contains two independent 2-methyl-piperazinium dications, which comprise a racemic pair, and four hydrogen maleate monoanions. In the roughly planar hydrogen maleate anions, intra-molecular O-H⋯O hydrogen bonds generate S(7) rings. In the crystal, the four independent anions are linked to the 2-methyl-piperazinium cations through N-H⋯O hydrogen bonds, forming two-dimensional layered structures lying parallel to (001).

Crystal structure of 2,5-di-methyl-anilinium hydrogen maleate.

The crystal structure of the title salt, C8H12N(+)·C4H3O4 (-), consists of a 2,5-di-methyl-anilinium cation and an hydrogen maleate anion. In the anion, a strong intra-molecular O-H⋯O hydrogen bond is observed, leading to an S(7) graph-set motif. In the crystal, the cations and anions pack in alternating layers parallel to (001).

Tri-chlorido-(1-ethyl-piperazin-1-ium)cobalt(II).

In the title complex, [Co(C6H15N2)Cl3], the Co(2+) ion is coordinated in a distorted tetra-hedral fashion by three chloride ions and one N atom of the piperazine ring; the ring adopts a chair conformation with the N-Co and N-CEt bonds in equatorial orientations. In the crystal, mol-ecules are connected by N-H⋯Cl hydrogen bonds, generating (10-1) sheets.

1-Phenyl-piperazine-1,4-diium tetra-chlorido-cobalt(II).

In the title mol-ecular salt, (C10H16N2)[CoCl4], the piperazine ring of the phenyl-piperazine dication adopts a chair conformation and the phenyl ring occupies an equatorial orientation. In the tetra-chlorido-cobaltate(II) dianion, the Co-Cl bond lengths for the chloride ions not accepting hydrogen bonds are significantly shorter than those for the chloride ions accepting such bonds. In the crystal, the components are linked by N-H⋯Cl hydrogen bonds, generating [001] chains.

Bis(4-amino-pyridinium) hexa-aqua-nickel(II) bis-(sulfate).

In the title compound, (C5H7N2)2[Ni(H2O)6](SO4)2, the Ni(II) cation is located on an inversion centre and is coordinated by six aqua ligands in a slightly distorted octa-hedral coordination environment. The [Ni(H2O)6](2+) ions are connected through an extensive network of O-H⋯O hydrogen bonds to sulfate anions, leading to the formation of layers parallel to (001). The 4-amino-pyridinium cations are located between these layers and are connected to the anionic framework by N-H⋯O hydrogen bonds.

Tetra-aqua-bis-(piperazin-1-ium)cobalt(II) bis-(sulfate) dihydrate.

In the centrosymmetric title compound, [Co(C4H11N2)2(H2O)4](SO4)2·2H2O, the Co(II) atom is coordinated in a distorted octa-hedral geometry by four water O atoms and two piperazinium N atoms. These four water O atoms define an equatorial plane with a maximum deviation of 0.0384 (1) Å while the two piperazinium N atoms complete the octa-hedron in the axial positions.

Homopiperazine-1,4-diium bis-[hexa-aqua-cobalt(II)] tris-ulfate.

In the title compound, (C(5)H(14)N(2))[Co(H(2)O)(6)](2)(SO(4))(3), the cationic framework is built up of mixed organic-inorganic fragments, namely [Co(H(2)O)(6)](2+) and [C(5)H(14)N(2)](2+). The [Co(H(2)O)(6)](2+) cations form unconnected octa-hedra. Sulfate anions inter-calated between cationic species connect them via N-H⋯O and O-H⋯O hydrogen bonds and electrostatic inter-actions.

4-Meth-oxy-anilinium nitrate.

The title compound, C(7)H(10)NO(+)·NO(3) (-), crystallized with two p-ansidinium cations and two nitrate anions in the asymmetric unit. As well as Columbic and van der Waals forces, moleucles inter-act via multiple bifurcated N-H⋯O hydrogen bonds that help consolidate the crystal packing, resulting in a three-dimensional network.

Bis(2,3-dimethyl-anilinium) tetra-chlorido-zincate dihydrate.

In the title compound, (C(8)H(12)N)(2)[ZnCl(4)]·2H(2)O, the Zn atom is coordinated by four Cl atoms in a tetra-hedral geometry. The water mol-ecules and the organic cations inter-act with the [ZnCl(4)](2-) complex anions, building up a two-dimensional hydrogen-bonded network parallel to (100).

(4-Chloro-phen-yl)methanaminium chloride hemihydrate.

In the title hydrated salt, C(7)H(9)ClN(+)·Cl(-)·0.5H(2)O, the water O atom lies on a crystallographic twofold axis. In the crystal, the monoprotonated 4-chloro-benzyl-ammonium cation forms N-H⋯Cl and N-H⋯O hydrogen bonds and the water mol-ecule forms O-H⋯Cl hydrogen bonds, generating layers lying parallel to the bc plane.

2,6-Diethyl-anilinium perchlorate.

The asymmetric unit of the title mol-ecular salt, C(10)H(16)N(+)·ClO(4) (-), contains two cations and two anions. The atoms of one of the ethyl side chains of one of the cations are disordered over two sets of sites in a 0.531 (13):0.