Mononuclear and binuclear dioxidomolybdenum(VI) complexes of ONO appended aroylhydrazone: Crystal structures, interaction energy calculation and cytotoxicity

Abstract

Mono- and binuclear cis-MoO2 complexes (1–3) having the general formula [MoO2(ISF)D] (D = H2O (complex 1), DMSO (complex 2) and 4,4ꞌ-bipyridine (complex 3) ISF = 3,5-diiodosalicyaldehyde-2-furoichydrazone) have been synthesized and fully characterized by different physico-chemical methods. The molecular structures were confirmed unambiguously by single crystal X-ray diffraction studies. The octahedral geometry around the Mo(VI) central atom is satisfied by O, N, O donor atoms of dideprotonated dianionic hydrazone moiety, two oxido oxygens and oxygen/nitrogen atoms of the coordinated solvent molecules. The asymmetric unit of complexes 1 and 2 contains one molecule whereas complex 3 contains only half of the molecule. The 4,4ꞌ-bipyridine molecule acts as a linker that links the two asymmetric MoO2D moieties to form the binuclear dioxidomolybdenum(VI) in complex 3 with Mo⋯Mo non-bonding distance of 12.01(10) Å. The relevance of hydrogen bonding and non-bonding interactions in the construction of supramolecular architectures were investigated. The upshots of single crystal studies were reproduced with the aid Hirshfeld surface studies. The pre-eminence of dispersion energy component over other components was established by interaction energy calculations and the energy framework analysis. The average interaction energy values for complexes 2 and 3 are found to be −282.3 and −228.3 kJ mol−1 respectively. Furthermore the in vitro cytotoxicity of all the synthesized compounds was evaluated against lymphoma ascites cell line.