A New Zn(II) Metal Hybrid Material of 5-Nitrobenzimidazolium Organic Cation (C7H6N3O2)2[ZnCl4]: Elaboration, Structure, Hirshfeld Surface, Spectroscopic, Molecular Docking Analysis, Electric and Dielectric Properties

The slow solvent evaporation approach was used to create a single crystal of (CHNO)[ZnCl] at room temperature. Our compound has been investigated by single-crystal XRD which declares that the complex crystallizes in the monoclinic crystallographic system with the P2/c as a space group. The molecular arrangement of the compound can be described by slightly distorted tetrahedral ZnCl anionic entities and 5-nitrobenzimidazolium as cations, linked together by different non-covalent interaction types (H-bonds, Cl…Cl, π…π and C–H…π). Hirshfeld’s surface study allows us to identify that the dominant contacts in the crystal building are H…Cl/Cl…H contacts (37.3%). FT-IR method was used to identify the different groups in (CHNO)[ZnCl]. Furthermore, impedance spectroscopy analysis in 393 ≤ T ≤ 438 K shows that the temperature dependence of DC conductivity follows Arrhenius’ law. The frequency–temperature dependence of AC conductivity for the studied sample shows one region (E = 2.75 eV). In order to determine modes of interactions of compound with double stranded DNA, molecular docking simulations were performed at molecular level

Synthesis of New Homopiperazine-1.4-Diium Tetrachloridromercurate (II) Monohydrate (C5H14N2)[HgCl4]·H2O, Crystal Structure, Hirshfeld Surface, Spectroscopy, Thermal Analysis, Antioxidant Activity, Electric and Dielectric Behavior

Using acid–base assays and simple slow evaporation method at ambient temperature, we were successful in producing a novel salt with the chemical formula (C5H14N2)[HgCl4]·H2O. According to single-crystal X-ray diffraction data, the crystal packing was regulated by H-bonds and by Coulomb interactions (also called electrostatic interactions) between distinct entities, which formed a 3D network. The 2D fingerprint plots and the Hirshfeld surface were utilized to examine the effect of intermolecular interactions. FTIR spectroscopy, PL spectroscopy, thermal analysis, and electrical conductivity experiments were also carried out, and the antioxidant activity was tested

Stabilization of Tetrachloride with Mn (II) and Co (II)Complexes and 4-Tert-Butylpyridinium Organic Cation: Elaboration of the Structure and Hirshfeld Surface, Optical, Spectroscopic and Thermal Analyses

[C9H14N]2[MnCl4] (I) and [C9H14N]2[CoCl4] (II) are isostructural compounds produced via gradual evaporation at room temperature. Both compounds consolidate in the tetragonal space group I4¯2d (No. 122), as shown by single-crystal X-ray diffraction observations. A slightly deformed tetrahedral geometry is formed by four chloride atoms around each cation MII (M = Mn or Co). The [C9H14N]+ groups and the isolated [MCl4]2− units are connected via C–H…Cl and N–H…Cl H-bonds to form sheets parallel to the (101¯), (011), (01¯1) and (101) planes. The morphology and the chemical composition of compounds (I) and (II)were determined here using SEM and EDX. The functional groups contained in both compounds were determined using FT-IR spectroscopy. The study of the optical characteristics showed that the two compounds exhibited semiconductor behavior. The thermal analysis (TGA-DTA) was used to determine their thermal stability