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.

ABSTRACT: The slow solvent evaporation approach was used to create a single crystal of (C₇H₆N₃O₂)₂[ZnCl₄] 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 P2₁/c as a space group. The molecular arrangement of the compound can be described by slightly distorted tetrahedral ZnCl₄^2- 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

SUBMITTER: Ayari C 

PROVIDER: S-EPMC9697581 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature