Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br)

• New organic–inorganic hybrid material (C 8 H 14 N 2 ) 4 ·(TeBr 6 ) 3 ·2(Br) was synthesized by slow evaporation at room temperature. • Anionic and cationic groups are linked thanks to N H…Br hydrogen bonds. • Hirshfeld surface analysis was used to study the various types of intermolecular interactions and their impact towards the crystal packing. • The vibrational spectral and thermal analysis were analyzed and assigned. A novel supramolecular hybrid compound, (C 8 H 14 N 2 ) 4 ·(TeBr 6 ) 3 · 2(Br) , was synthesized at room temperature through slow evaporation and thoroughly characterized. Single-crystal X-ray diffraction analysis revealed its monoclinic structure (space group C2/c), with the crystal stabilized by N H…Br hydrogen bonds, anion…π + and π…π interactions. Hirshfeld surface analysis quantified the intermolecular interactions, highlighting H…Br as the most dominant (55.7 %). Vibrational properties analyzed using FT-IR and Raman spectroscopy confirmed the functional groups of both organic and inorganic components, while thermal analysis demonstrated stability up to 100 °C. Preliminary insights into its structural features, such as the presence of [TeBr 6 ] 2− units and π interactions, suggest potential catalytic activity alongside optoelectronic and dielectric applications, warranting further investigation.