ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Synthesis, characterization, and biological activity of Cu(II) coordination complex with 2-aminoxazole: experimental and computational insights

Surayyo Razzoqova, Shakhnoza Kadirova, Zuxra Yaxshiyeva, Jamshid Ashurov, Bakhrom Khusanov, Natarajan Elangovan, Ashish Kumar, Abhinay Thakur, Adeyinka Sikiru Yusuff, Elyor Berdimurodov, and Jasur Tursunqulov

Department of Inorganic Chemistry, National University of Uzbekistan Named After Mirzo Ulugbek, Tashkent, Uzbekistan

E-mail: razzokova89@mail.ru

Received: 24 March 2025  Accepted: 2 June 2025

Abstract:

A novel copper(II) coordination complex, [Cu₂L(H₂O)(CH₃COO)₄], with 2-aminoxazole as a ligand was synthesized and characterized using multiple spectroscopic and analytical techniques. The elemental composition analysis confirmed the expected molecular formula, while UV–Vis and FTIR spectroscopy provided insights into the electronic structure and coordination environment. Single-crystal X-ray diffraction revealed a monoclinic crystal system (I2/a) with unit cell parameters: a = 14.4098(3) Å, b = 8.53751(18) Å, c = 28.2961(6) Å, and β = 93.061(2), indicating a dinuclear copper core with octahedral coordination geometry. The HOMO–LUMO energy gap (0.1548 eV) from DFT calculations suggested high electronic delocalization, which may influence its reactivity. The biological activity of [Cu₂L(H₂O)(CH₃COO)₄] was assessed in various areas. At 0.00001% concentration, the complex enhanced germination rates to 99.5% (wheat) and 89.5% (cucumber). Docking studies revealed strong affinity toward Hepatitis C virus proteins (–13.9 kcal/mol), indicating antiviral potential.

Keywords: Copper(II) complex; 2-Aminoxazole; X-ray diffraction; Growth promotion; Antifungal activity; Molecular docking

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-025-04181-7

Chemical Papers 79 (9) 6159–6182 (2025)