Synthesis, Crystal Structure, and Characterization of the first Organic Cation Hexaoxoperiodate

The title compound is an organic-inorganic hybrid material. The single crystal X-ray diffraction investigation reveals that the studied compound crystallizes in the monoclinic system, space group P21/c with the following lattice parameters:               𑎠= 7.551 (2) Ã…, ð‘ = 6.694 (3) Ã…, ð‘ = 14.783 (2) Ã…, β = 97.61 (2)° and ð‘ = 2. The crystal lattice is composed of a discrete (H4IO6)− anion surrounded by piperazinium cations and water molecules. Complex hydrogen bonding interactions between the different chemical spices form a three-dimensional network. Room temperature IR, 13C NMR spectroscopy, thermogravimetric analysis and optical absorption of the title compound were recorded and analyzed.Â

Homopiperazine-1,4-diium bis­[hexa­aqua­cobalt(II)] tris­ulfate

In the title compound, (C5H14N2)[Co(H2O)6]2(SO4)3, the cationic framework is built up of mixed organic–inorganic fragments, namely [Co(H2O)6]2+ and [C5H14N2]2+. The [Co(H2O)6]2+ cations form unconnected octa­hedra. Sulfate anions inter­calated between cationic species connect them via N—H⋯O and O—H⋯O hydrogen bonds and electrostatic inter­actions

(4-Chloro­phen­yl)methanaminium chloride hemihydrate

In the title hydrated salt, C7H9ClN+·Cl−·0.5H2O, the water O atom lies on a crystallographic twofold axis. In the crystal, the monoprotonated 4-chloro­benzyl­ammonium cation forms N—H⋯Cl and N—H⋯O hydrogen bonds and the water mol­ecule forms O—H⋯Cl hydrogen bonds, generating layers lying parallel to the bc plane

2,6-Diethyl­anilinium perchlorate

The asymmetric unit of the title mol­ecular salt, C10H16N+·ClO4 −, 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):0.469 (13) ratio. In the crystal, the components are linked by N—H⋯O and bifurcated N—H⋯(O,O) hydrogen bonds and weaker C—H⋯O inter­actions, such that the organic cations alternate with the perchlorate anions, forming ribbons in the a-axis direction

4-Meth­oxy­anilinium nitrate

The title compound, C7H10NO+·NO3 −, crystallized with two p-ansidinium cations and two nitrate anions in the asymmetric unit. As well as Columbic and van der Waals forces, moleucles inter­act via multiple bifurcated N—H⋯O hydrogen bonds that help consolidate the crystal packing, resulting in a three-dimensional network

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

[EN] A novel organic-inorganic hybrid compound, named (1-phenylpiperazinium) trihydrogen triphosphate, with the formula-(C10H15N2)(2)H3P3O10 has been obtained by low speed of evaporation of a mixture of an alcoholic solution of 1-phenylpiperazine and triphosphoric acid H5P3O10 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-center dot center dot center dot, O-(HO)-O-center dot center dot center dot, and C-(HO)-O-center dot center dot center dot hydrogen bonds, building up a three-dimensional packing. Powder X-ray diffraction analysis is acquired to confirm the purity of the product. The nature and the proportion of intermolecular interactions were investigated by Hirshfeld surface analysis. In order to support the experimental results, a density functional theory (DFT) calculation was performed, using the Becke-3-parameter-Lee-Yang-Parr (B3LYP) function with LANL2DZ basis set, and the data indicate much agreement between the experimental and the theoretical results. Thus, the physicochemical properties were studied employing a variety of techniques (FTIR, NMR, UV-visible, and photoluminescence). To get an insight of the possible employment of the present material in biology, cell viability assays were performed.This work is supported by the Tunisian National Ministry of Higher Education and Scientific Research.Oueslati, Y.; Kansiz, S.; Dege, N.; De La Torre Paredes, C.; Llopis-Lorente, A.; Martínez-Máñez, R.; Sta, WS. (2022). Growth, crystal structure, Hirshfeld surface analysis, DFT studies, physicochemical characterization, and cytotoxicity assays of novel organic triphosphate. 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Bis(2,3-dimethyl­anilinium) tetra­chlorido­zincate dihydrate

In the title compound, (C8H12N)2[ZnCl4]·2H2O, the Zn atom is coordinated by four Cl atoms in a tetra­hedral geometry. The water mol­ecules and the organic cations inter­act with the [ZnCl4]2− complex anions, building up a two-dimensional hydrogen-bonded network parallel to (100)

Growth, single crystal investigation and physico-chemical properties of thiocyanate coordination compounds based on 1,4-dimethylpiperazine

Four new hybrid organic-inorganic compounds based on 1,4-cimethylpiperazinium, [C6H16N2M(SCN)4]·2H2O (M = Co(1), Ni(2)), [(C6H16N2)Cd(SCN)4] (3), and [C6H16N2(SCN)2] (4), were prepared by the evaporation crystal growth method at room temperature. These complexes were characterized by their X-ray crystal structure; spectroscopic methods such as FTIR analysis supported the presence of surface ligand groups of thiocyanates and identified the vibrational absorption bands. The piperazinium ring adopts a slightly distorted chair conformation which is more stable because it does not have any steric hindrance or steric repulsion between the hydrogen bonds and which favors the entities coordination. Intermolecular interactions were investigated by Hirshfeld surfaces and contact enrichment tools. In the crystals, extensive intermolecular interactions have been used in the self-assembly of motifs, including strong H-bonds. The components are linked mainly by N-H…S, O-H…S, and N-H…N hydrogen-bonding interactions, resulting in a three-dimensional network. The arrangements of the anions and cations in the solids are governed not only by the size and symmetry of the cations, but also by the non-covalent bonds in the crystal structures.peerReviewe

Bis(4-aminopyridinium) hexaaquanickel(II) bis(sulfate)

In the title compound, (C5H7N2)2[Ni(H2O)6](SO4)2, the NiII cation is located on an inversion centre and is coordinated by six aqua ligands in a slightly distorted octahedral 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-aminopyridinium cations are located between these layers and are connected to the anionic framework by N—H...O hydrogen bonds. Weak π–π interactions between the pyridine rings, with a centroid–centroid distance of 3.754 (9) Å, provide additional stability to the crystal packing