Growth, crystal structure, Hirshfeld surface, dielectric and vibrational properties of a new inorganic-organic single crystal: (C5H6N2Cl)2TeCl6

Abstract The new organic-inorganic material (C 5 H 6 N 2 Cl) 2 TeCl 6 was synthesized at room temperature by slow evaporation, then characterized by single-crystal X-ray diffraction, spectroscopic measurements, thermal analysis and dielectric investigation. The compound crystallizes in monoclinc space group P2 1 /n with parameters a = 9.715 (5) A, b = 10.064 (5) A, c = 10.578 (5) A, β = 90.000 (5) and Z = 2. The stability of the structure was ensured by ionic interactions, hydrogen bonding and Van Der Waals contacts. These last two intermolecular interactions were quantitatively and qualitatively evaluated by Hirshfeld surface analysis. Spectroscopic studies (FTIR and Raman) confirmed the existence of vibrational modes that correspond to the organic and inorganic molecular groups. DTA and Raman analyses at different temperatures were performed to determine the phase transition temperature that was approved by a detailed dielectric study.