Synthesis, structure and physicochemical characterization of the hybrid material [C6H16N2O]2 SnCl6•2Cl•2H2O

The current study reports the chemical preparation, crystal structure, Hirshfeld surface analysis and spectroscopic characterization of the novel compound [C6H16N2O]2SnCl(6)center dot 2Cl center dot 2H(2)O. This compound crystallizes in the triclinic system (space group P - 1, Z = 1) with the following unit cell dimensions: a = 7.9764(9), b = 8.2703(9), c = 12.1103(14)angstrom, alpha = 84.469(6), beta = 75.679(6), and gamma = 64.066(5)degrees. The structure was solved using 3093 independent reflections down to R = 0.020. The atomic arrangement shows alternation of organic and inorganic entities. The cohesion between these entities is ensured by N-H center dot center dot center dot Cl and O-H center dot center dot center dot Cl hydrogen bonds that build a three-dimensional network. The 3D Hirshfeld surfaces and the associated 2D fingerprint plots were investigated for intermolecular interactions. The C-13 and N-15 CP-MAS NMR spectra are in agreement with the X-ray structure. The vibrational absorption bands were identified by infrared spectroscopy. DFT calculations allowed the attribution of the IR and NMR bands. X-ray powder, XPS and UV spectrum have been carried out. The DSC profile shows that the title material exhibits dehydration at 339 K. (C) 2016 Elsevier B.V. All rights reserved.