Non-covalently generated 3D supramolecular crystal structure in a new family of hybrid nitrates templated by piperazine: Thermal behavior and in vitro antimicrobial potential

D. Ben Hassan (1) , W. Rekik (1) , A. Otero-De-La Roza (2) , F. Ben Mefteh (3) , T. Roisnel (4) , T. Bataille (4) , H. Naïli (1)

1 L.E.S. - Laboratoire de l'Etat Solide
2 National Institute for Nanotechnology, National Research Council of Canada
3 FSS - Faculté des Sciences de Sfax
4 ISCR - Institut des Sciences Chimiques de Rennes

Three new hybrid nitrate materials based on transition metals and templated by piperazine, (C4H12N2)3[MII(H2O)6](NO3)8 with MII: Mn (1), Cu (2) and Co (3) have been investigated and crystallographically characterized. The single crystal X-ray diffraction study shows that the three complexes crystallize in the triclinic system, space group P1¯. Within the adopted supramolecular structures, isolated entities [MII(H2O)6]2+, NO3 − and (C4H12N2)2+ are held together through an extensive H-bonded system forming a three-dimensional network. The thermogravimetric analysis and temperature-dependent X-ray diffraction (TDXD) were used to follow the thermal behavior of the compounds. The TG analysis shows that, under heating, the precursors decompose into M2O3 via two steps: a dehydration followed by a total decomposition. The nature of the intermediate phases was studied using TDXD analysis. The orientation and strength of the non-covalent interactions binding the crystal, particularly the hydrogen bond network, were examined using density-functional theory (DFT) electron density and the non-covalent interaction (NCI) plot technique. The synthesized compounds were screened for antibacterial and antifungal activities against five Gram-positive, three Gram-negative bacteria and three fungi. © 2016 Elsevier Ltd

Mots clés: Hybrid nitrate; H-bonded system; Non-covalent interactions; Thermal decomposition; Biological activity

Domaines: Chimie; Matériaux; Cristallographie

D. Ben Hassan, W. Rekik, A. Otero-De-La Roza, F. Ben Mefteh, T. Roisnel, et al.. Non-covalently generated 3D supramolecular crystal structure in a new family of hybrid nitrates templated by piperazine: Thermal behavior and in vitro antimicrobial potential. Polyhedron, 2016, 119, pp.238--247. ⟨10.1016/j.poly.2016.08.043⟩. ⟨hal-01381134⟩