A mononuclear Co(II) complex: Crystal structure, thermal behavior, optical properties and biological activities

• DOI: 10.1016/j.molstruc.2021.130996
• Publication Date: 2021-07-02T18:05:54Z
• Authors: Souad Dgachi; Fatma Rahmouni; Albert Soran; Mongi Saoudi; Gabriela Nemes; Houcine Naïli
• Keywords: Triclinic crystal system; Crystal (programming language); Supramolecular assembly

Abstract A new mononuclear cobalt hybrid material (C6H9N2)2[CoCl4] was prepared using slow evaporation technique at room temperature. The X-ray diffraction analysis revealed that the compound crystallizes in the centrosymmetric space group P-1 of the triclinic system. In the crystal structure, the atomic arrangement is described as an alternation of 0-Dimensional organic and inorganic stacks; these stacks are connected via hydrogen bonds. The supramolecular architecture is stabilized by intermolecular interactions such as π···π stacks and halogen···halogen interactions. Hirshfeld surfaces and the breakdown of the fingerprint plots were determined to quantify the intermolecular contacts present in the crystal lattice. The thermal decomposition was studied by DSC and TGA techniques. The optical band gap energy suggests the semiconductor nature of the complex. The in-vitro biological activities show that the compound is a promising antioxidant agent.