A novel mixed halide co-based hybrid compound: crystal structure, Hirshfeld surface analysis and thermal behavior

A great deal of interest has been devoted to the design of a novel cobalt-based hybrid-material with interesting structure properties. Crystals of (C 6 H 16 N) 2 [CoBr 2.06 Cl 1.94 ] ( 1 ) were prepared at room temperature through slow evaporation technique and fully characterized by X-ray single-crystal diffraction, Hirshfeld surface analysis, scanning electron microscopy–energy-dispersive X-ray spectroscopy (SEM–EDX) analysis, FT-infrared measurements and thermal analysis. Single-crystal X-ray study showed that ( 1 ) belongs to the Pbca space group of the orthorhombic system with the following unit cell parameters: a = 18.1655(11) Å; b = 18.6361(10) Å; c = 24.7860(14) Å, V = 8390.9(8) Å 3 and Z = 8. Its structure is constituted by [Co(Br/Cl) 4 ] 2− anions and protonated amines (C 6 H 16 N) + . These entities are linked together by two types of hydrogen bonds: N–H…Br/Cl and C–H…Br/Cl to ensure the structure cohesion along the three crystallographic axes giving rise to a 3D hydrogen bonding architecture. The SEM was used to study the surface morphology of this sample, while the identification of chemical elements was verified by qualitative analysis EDX. Infrared spectroscopy is carried out to confirm the structural composition and inspect the vibrational properties of ( 1 ). Finally, thermogravimetric analysis reveals that the decomposition process proceeds into two successive stages giving rise to cobalt oxide.