Structural, Surface Interactions, Physicochemical, and Molecular Docking Evaluation of a New Hybrid 4-Chloroanilinium Trichloromercurate (II) Hybrid Material

Chaima Ayari,Mohamed Habib Mrad, Sofien Gatfaoui,Abdullah A. Alotaibi,Hassan E. M. Gomaa,Abdelhak Othmani, Safer Tale Almutairi,Nicola Precisvalle, Bakhtiyar A. Najafov,Haji Vahid N. Akhundzada,Cherif Ben Nasr

Journal of Cluster Science（2024）

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Abstract

Using the slow evaporation process, we successfully synthesized a novel hybrid material, (C6H7ClN)[HgCl3], which was subsequently characterized through various physicochemical methods. The crystal structure was determined within the triclinic system, specifically in space group P-1. The packing arrangement exhibited alternating di-trichloromercurate (II) (C6H7ClN)[HgCl3] dimers and 4-chloroanilinium cations. Hirshfeld surface analysis revealed that H...Cl interactions dominated, constituting 50.2

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Key words

Hybrid materials,Single crystal,Surface interactions,Gap energy,Electric-dielectric properties,Molecular docking

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