Synthesis, crystal structure and characterization of a new organic–inorganic hybrid material: [C6H16N2O]SbCl5

• New hybrid compound, [C6H16N2O]SbCl5 was synthesized at room temperature by slow evaporation.
• The atomic arrangement shows three-dimensional network.
• The crystal packing is ensured by hydrogen bonds.
• This material was also investigated by IR, Raman and CP-MAS NMR spectroscopies.

The present paper undertakes the study of [C6H16N2O]SbCl5 which is a new hybrid compound. It is synthesized and characterized by single-crystal X-ray diffraction, thermal analysis, IR and solid state NMR spectroscopies. The centrosymmetric compound crystallizes in the monoclinic space group P21/n, with the following unit cell parameters: a = 9.8519(2), b = 8.8345(2), c = 17.3087(4) Å, β = 102.3(1)° and Z = 4. The atomic arrangement shows an alternation of organic and inorganic entities. The cohesion between these entities is performed via N–H⋯Cl and O–H⋯Cl hydrogen bonding to form a three-dimensional network. The 13C CP-MAS NMR spectrum is in agreement with the X-ray structure. Infrared and Raman spectra at room temperature are recorded in the 4000–400 and 500–100 cm−1 frequency regions respectively. This study confirms the presence of the organic cation [C6H16N2]2+ and of the [SbCl5]2− anion. DFT calculations allow the attribution of the carbon peaks to the different atoms.