Wajda Smirani

2,6-Dimethyl­anilinium chloride monohydrate

In the title hydrated molecular salt, C8H12N+·Cl−·H2O, the component species interact by way of N—H⋯O, N—H⋯Cl and O—H⋯Cl hydrogen bonds, resulting in a three-dimensional network.

4-Chloro-anilinium hydrogen oxalate hemihydrate.

In the title hydrated molecular salt, C6H7ClN+·C2HO4 −·0.5H2O, the water O atom lies on a crystallographic twofold axis. In the crystal, the anions are linked by O—H⋯O hydrogen bonds, forming chains propagating along the b axis. These chains are interconnected through O—H⋯O hydrogen bonds from the water molecules and N—H⋯O hydrogen bonds from the cations, building layers parallel to the ab plane.

Bis(2,5-dimethyl-anilinium) tetra-chlorido-zincate(II).

In the title compound, (C8H12N)2[ZnCl4], the Zn2+ ion adopts a distorted tetrahedral coordination geometry. In the crystal, the cations and anions are linked by N—H⋯Cl hydrogen bonds, leading to ribbons propagating parallel to the a axis.

Synthesis, structural characterization, Hirshfeld surface analysis, spectroscopic and ferroelectric properties studies of 4-methylbenzylammonium sulfate

ABSTRACT Single crystals of 4-methylbenzylammonium sulfate were grown in an aqueous solution at room temperature. The grown compound is characterized by spectroscopic, thermal, and dielectric studies and its structure was determined by single-crystal X-ray diffraction analysis. Its crystal structure is described as a three-dimensional network where the sulfate anions (HSO4−) are interconnected through H-bonds to form anionic layers between which the 4-methylbenzylammonium cations are located. The hydrogen bonding network connecting the different components is given. Hirshfeld surface analysis was performed to visualize, explore and quantify intermolecular interactions in the crystal lattice. This analysis revealed the presence of H…C/H…C, C…O/O…C intermolecular interactions and O…O, H…H short contacts in the crystal. X-ray, structural and electrical results are correlated. The kind of the observed conduction is protonic by translocation. Differential scanning calorimetry (DSC) shows that this material presents a reversible phase transition at 390 K, confirmed by the dielectric permittivity study.

2,5-Dimethyl-anilinium nitrate.

In the title salt, C8H12N+·NO3 −, all non-H atoms of the cation lie on mirror planes. The nitrate counteranion has m symmetry and acts as a hydrogen-bond acceptor of N—H⋯O hydrogen bonds, connecting the cations and anions into layers running parallel to the ab plane.

Synthesis, structural characterization, spectroscopic, thermal, dielectric and Hirshfeld surface analysis of 1-(2-methoxyphenyl)piperazinium chloranilate

ABSTRACT The new compound 1-(2-methoxyphenyl)piperazinium chloranilate (MPP.CA) was synthesized and studied by the single crystal X-ray diffraction method. Its structure was confirmed by infrared spectroscopy. The crystal structure consists of ribbons of chloranilate anions and 1-(2-methoxyphenyl)piperazinium cations linked together by NH…O hydrogen bonds. Two protons are transferred from a chloranilic acid molecule to the nitrogen of the piperazine in this structure. Measurements of AC conductivity as a function of frequency at different temperatures indicated the hopping conduction mechanism; in addition, the variation of dielectric constant as a function of T confirmed the transition phase indicated by the differential scanning calorimetry (DSC). The physico-chemical properties, UV-Vis, DSC and dielectric properties are described. Hirshfeld surface analyzes all the intermolecular interactions involved within the structure, which are important to stabilize the structure.

Structural characterization, spectroscopic, thermal, AC conductivity and dielectric properties and antimicrobial studies of (C8H12N)2[SnCl6]

ABSTRACT A new inorganic-organic hybrid material produced from 2,6-dimethylanilinium cations and tin halide (SnCl6)2− has been synthesized and structurally determined by X-ray diffraction method. The title compound crystallizes in the monoclinic system, space group C2/m with a = 19.8772(4), b = 6.9879(1), c = 8.3001(2) Å, β = 98.487(2)° and V = 1140.26(4) Å3. The crystal structure is built up of sheets of (SnCl6)2− octahedral anions and 2,6-xylidinium cations. The optical band gap was calculated and found to be 4.11 eV. At high temperature this compound exhibits a structural phase transition at 338 K. This has been characterized by differential scanning calorimetric and dielectric studies. Measurements of AC conductivity as a function of frequency at different temperatures indicated the hopping conduction mechanism. The bioassay results showed that the structure exhibits significant antibacterial activity.