TY - JOUR
T1 - A new Organic–Inorganic hybrid compound (NH3(CH2)2C6H5)2[SnCl6]
T2 - Crystal structure, characterization, Hirshfeld surface analysis, DFT calculation, vibrational properties and biological evaluation
AU - Kaiba, Abdellah
AU - Geesi, Mohammed H.
AU - Riadi, Yassine
AU - Ibnouf, Elmutasim O.
AU - Aljohani, Talal A.
AU - Guionneau, Philippe
N1 - Publisher Copyright:
© 2021 Elsevier Inc.
PY - 2021/12
Y1 - 2021/12
N2 - 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.
AB - 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.
KW - Antibacterial
KW - DFT calculation
KW - Hirshfeld surface
KW - Micro-Raman spectroscopy
KW - X-ray diffraction
UR - http://www.scopus.com/inward/record.url?scp=85115312456&partnerID=8YFLogxK
U2 - 10.1016/j.jssc.2021.122587
DO - 10.1016/j.jssc.2021.122587
M3 - Article
AN - SCOPUS:85115312456
SN - 0022-4596
VL - 304
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
M1 - 122587
ER -