Abstract
In this study, the crystal structure of a new phase of organic–inorganic hybrid (NH3(CH2)2C6H5)2[SnCl6] was resolved at room temperature (monoclinic system), space group (P21/c), with unit cell parameters (a = 7.345(5) Å, b = 25.667(5) Å, c = 11.971(5) Å), β = 90.106(5)°, volume = 2256.8 (19) Å3 and Z = 4). The asymmetric unit cell consisted of a combination of [SnCl6]2– and two organic + NH3C2H4C6H5 cations. The crystal structure comprised alternating organic and inorganic layers stacked along the b-axis. The isolated octahedra formed a zero-dimensional anionic network. The crystal structure was stabilized by hydrogen bonding. Powder X-ray diffraction confirmed the phase purity. Hirshfeld surface and fingerprint plots elucidated the contribution of the H⋅⋅⋅Cl and H⋅⋅⋅H intermolecular interactions. DFT calculations confirmed the assignment of the Raman bands. Vibrational absorption bands were identified by micro-Raman spectroscopy. The antibacterial performance was investigated. Notably, this new compound was active against all of the tested bacteria.
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•Complete structure data at room temperature.•The structure form infinite layers of (organic/inorganic) connected by complex hydrogen bonds network.•DFT calculations allowed the attribution of the vibrational modes.•The 3D Hirshfield surfaces and the associated 2D fingerprint plots were investigated for intermolecular interactions.•The synthesized compound is active against all bacteria strains.