(4-Meth­oxy­phen­yl)methanaminium chloride

In the crystal structure of the title salt, C8H12NO+·Cl−, the methoxy group of the cation is co-planar with the phenylene moiety with an r.m.s. deviation from the mean plane of only 0.005 Å. The ammonium N atom deviates from this plane by 1.403 (1) Å. In the crystal, the (4-meth­oxy­phen­yl)methan­aminium cations and chloride anions are linked by N—H⋯Cl and C—H⋯O hydrogen bonds, resulting in an open framework architecture with hydrogen-bonded ammonium groups and chloride anions located in layers parallel to (011), separated by more hydrophobic layers with interdigitating anisole groups

Bis(2-amino-1,3-benzothia­zol-3-ium) tetra­chloridozincate(II)

The asymmetric unit of the title compound, (C7H7N2S)2[ZnCl4], contains a network of 2-amino­benzothia­zolium cations and tetra­hedral [ZnCl4]2− anions. The crystal packing is influenced by cation-to-anion N—H⋯Cl and C—H⋯Cl hydrogen bonds. The [ZnCl4]2− anions have a distorded tetra­hedral geometry. Inter­molecular π–π stacking inter­actions are present between neighboring benzene rings, thia­zole and benzene rings and neighboring thia­zole rings [centroid–centroid distances = 3.711 (2), 3.554 (1), 3.536 (2) and 3.572 (1) Å]

Genetic Analysis of <b><i>TREM2</i></b> Variants in Tunisian Patients with Alzheimer&apos;s Disease

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Bis[4-(dimethyl­amino)­pyridinium] tetra­chloridozincate

In the title compound, (C7H11N2)2[ZnCl4], [ZnCl4]2− anions and 4-(dimethyl­amino)­pyridinium cations are held together by various inter­molecular inter­actions including Coulombic attraction, hydrogen bonding and π–π stacking inter­actions. Three Cl atoms of the [ZnCl4]2− tetra­hedron act as acceptors in N—H⋯Cl hydrogen bonds. The hydrogen bonds, both of which are bifurcated, lead to the formation of a three-dimensional network. Within the network, inter­molecular π–π stacking inter­actions with a centroid–centroid distance of 3.5911 (7) Å arrange the 4-(dimethyl­amino)­pyridinium cations into anti­parallel dimers

Bis(2-amino-5-chloro­pyridinium) tetra­chloridozincate

The asymmetric unit of the title compound, (C5H6ClN2)2[ZnCl4], contains two 2-amino-5-chloro­pyridinium cations and one [ZnCl4]2− dianion which are held together by N—H⋯Cl and C—H⋯Cl hydrogen bonds. The [ZnCl4]2− anions have a distorted tetra­hedral geometry. Weak inter­molecular π–π stacking inter­actions exist between neighbouring aromatic rings of the cations with a centroid–centroid distance of 3.712 (7) Å

1-(4-Chloro­phen­yl)piperazine-1,4-diium tetra­chlorido­zincate(II) monohydrate

In the crystal structure of the title compound, (C10H15ClN2)[ZnCl4]·H2O, the Zn atom is coordinated by four Cl atoms in a tetrahedral geometry. The water mol­ecules and the 1-(4-chloro­phen­yl)piperazine-1,4-diium cations inter­act with the [ZnCl4]2− anions through O—H⋯Cl, N—H⋯Cl, N—H⋯O and C—H⋯Cl hydrogen bonds (five simple and one bifurcated). Inter­molecular π–π stacking inter­actions are present between adjacent aromatic rings of 1-(4-chloro­phenyl)­piperazine-1,4-diium cations (the centroid–centroid distance is 3.453 Å)

4-(Ammonio­meth­yl)pyridinium dichloride

The title compound, C6H10N2 2+·2Cl−, contains a network of 4-(ammonio­meth­yl)pyridinium cations and chloride anions which are inter­connected by N—H⋯Cl hydrogen bonds. The crystal packing is also influenced by inter­molecular π–π stacking inter­actions between identical anti­parallel organic cations with a face-to-face distance of ca 3.52 Å

Physico-chemical characterization, Hirshfeld surface analysis andopto-electric properties of a newhybrid material: Tris (2-amino-5-chloropyridinium) hexachlorobismuthate(III)

International audienceOne novel bismuth (III) hybrid compound with 2-amino-5-chloropyridine was prepared. The crystal was grown by slow evaporation method at room temperature. The structure was determined by single-crystal X-ray diffraction. It crystallizes in the triclinic space group P-1, with the following parameters: a = 7.5076(4) Å, b = 12.3682(6) Å, c = 15.1265(6) Å and α = 98.893(2)°, β = 95.779(2)°, γ = 106.459(2)° with Z = 2 and V = 1315.26(11) Å3. The structure was solved with a final R = 0.03 for 5983 independent reflections. The crystal arrangement consists of [BiCl6]3− anions surrounded by [C5H6ClN2]+cations. Complex hydrogen bonding interactions between [BiCl6]3- and organic cations through N(C)H⋯Cl hydrogen bonds form a three-dimensional network. The crystal packing is stabilized by Cl⋯Cl interactions. Hirshfeld surface calculations were conducted to investigate intermolecular interactions, associated 2D fingerprint plots and enrichment ratio, revealing the quantitatively relative contribution of these interactions in the crystal packing. Thermal behavior was characterized by TG-DSC showing the decomposition of the compound at 180 °C. Furthermore, Impedance spectroscopy study in the temperature range from 298 K to 443 K and in the frequency range between 5 and 13 MHz revealed that the temperature dependence of DC conductivity follows the Arrhenius law. Moreover, the frequency dependence of conductivity follows Jonscher's dynamical law. Nyquist plots (Z″ versus Z′) are well fitted to an equivalent circuit model which consists of a parallel combination of a bulk resistance Rb and constant phase elements CPE

X-ray diffraction, IR spectrum, optical properties, AIM, NBO, RDG, HS, Fukui function, biological and molecular docking analysis of a novel hybrid compound (C9H15N3)[CuCl4(H2O)]

International audienceThe paper reports the preparation and structural characterization of a novel hybrid complex (C9H15N3)[CuCl4(H2O)] grown by slow evaporation technique in aqueous solution at room temperature and characterized by X-ray diffraction, spectroscopy measurement, optical absorption, photoluminescence proprieties, Hirshfeld surface analysis, thermal and biological study. The title organic-inorganic material, (C9H15N3)[CuCl4(H2O)], crystallizes in monoclinic space group P21/n. The crystal arrangement consists of [CuCl4(H2O)]n 2n - chains spreading alone c axis at x = 1/2 and y = 1/2. To build the three-dimensionality of the structure, the organic cations are linked to the chains through hydrogen bond type N - H middotmiddotmiddotCl, OW1 - H middotmiddotmiddotCl and C - H middotmiddotmiddotCl. The new prepared compound was screened for its antioxidant activity. The Photoluminescence proprieties were also reported. The nature and proportion of contacts and the rapport of enrichment in the crystal packing were studied by the Hirshfeld surfaces. The vibrational properties FT-IR and UV-VIS spectral analyses of present compound have been researched by theoretical calcula-tions. Energy gap (Eg) of the molecule was found using LUMO and HOMO calculation. The local reactivity analyses (Fukui functions) were evaluated to identify the reactive sites in the protonated organic part. In-termolecular interactions were analyzed by molecular electrostatic potential surface (MEPS), the reduced density gradient (RDG), natural bond orbital (NBO) and topological AIM are reported. The thermal anal-ysis (ATD/TG) reveals the decomposition of title compound. The NBO analysis of title compound shows that the maximum energy is equal to 37.61 Kcal.mol -1 confirmed the charge transfer between organic and inorganic groups. The activation of thermodynamic parameters is calculated by DFT/ B3LYP/LanL2DZ. Photoluminescence measurements (PL) showed two peaks at around 331 and 393 nm. The biological ac-tivities of (C9H15N3)[CuCl4(H2O)] were investigated by DPPH and ABTS tests. Finally, docking studies have been conducted to predict 2PPCU anti-tubercular activity and as a potential therapeutic target for anti-cancer treatment against transaminase-Bio A and VEGFR-2 kinase inhibitor respectively type PDB's.(c) 2022 Elsevier B.V. All rights reserved

1-(2,5-Dimethylphenyl)piperazine-1,4-diium tetrachloridozincate monohydrate

In the title compound, (C12H20N2)[ZnCl4]&amp;#183;H2O, the two piperazine N atoms are protonated and the [ZnCl4]2&amp;#8722; anions adopt a slightly distorted tetrahedral configuration. In the crystal, O&amp;#8212;H...Cl hydrogen bonds link the tetrachloridozincate anions and the water molecules into corrugated inorganic chains parallel to [010]. The crystal structure is stabilized by N&amp;#8212;H...Cl, N&amp;#8212;H...O and O&amp;#8212;H...Cl hydrogen bonds, with the N&amp;#8212;H hydrogen bond originating from one of the two N atoms being trifurcated