Synthesis, crystal structure, Hirshfeld surface analysis and catalytic activity of new Cobalt (II) complex of 4-Nitrobenzoic acid and 1-Methylimidazole

• Published in: Journal of molecular structure 2023-11, Vol.1291, p.136072, Article 136072
• Main Authors: Tamang, Sumiran, Rai, Prasansha, Chettri, Sailesh, Pradhan, Kiran, Sinha, Biswajit, Das, Purak, Brahman, Dhiraj
• Format: Article
• Language: English
• Subjects: 4-nitrobenzoic acid; Benzil; Catalytic activity; Co (II) nitrate; Crystal explorer; Monoclinic (i2/a)
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2023.136072

•A new cobalt(II) complex of 4-Nitrobenzoic acid and 1-Methyimidazole have been prepared under refluxing methanol.•X-ray single crystal structure of the complex have been determined and the complex belongs to monoclinic crystal system with space group I2/a.•Hirshfeld surface analysis of the crystal have been determined to identify the different type of interactions prevailing in the crystal.•The catalytic efficiency of the complex have been studied for the solvent free synthesis of 2, 4, 5-triarylimidazole. New cobalt (II) complex [Co(4-NBA)2(1-Meim)2] (1) has been synthesized using Cobalt (II) Nitrate Hexahydrate, 4-nitrobenzoic acid (4-NBA) and 1-methylimidazole (1-Meim) in anhydrous methanol under refluxing condition. The structure of the complex (1) has been resolved by single crystal X-ray diffraction technique and the complex (1) was characterized by different analytical and spectroscopic techniques. Combined FT-IR and single crystal X-ray analysis revealed that the ligands 4-NBA and 1-Meim coordinate to CoII center via monodentate fashion utilizing oxygen atom of 4-NBA and nitrogen atom of 1-Meim respectively. The complex (1) crystallizes in monoclinic crystal system with I2/a space group and adopts distorted tetrahedral geometry. Thermal stability of the complex (1) has been studied by TGA and the decomposition temperature of the complex was found to be 199 °C. Hirshfeld surface analysis of the complex have also been studied and in addition, catalytic activity of the synthesized complex have been investigated for the solvent free synthesis of 2, 4, 5-triarylimidazole derivatives (4a-4p). [Display omitted]