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<p>A novel seven-coordinated cobalt(II) complex, (N<sub>2</sub>H<sub>5</sub>)<sub>2</sub>[Co(EDTA)(H<sub>2</sub>O)]·2H<sub>2</sub>O, was synthesized in aqueous medium and structurally characterized. Elemental, hydrazine, and metal content analyses confirmed the proposed stoichiometry. Single-crystal X-ray diffraction revealed a distorted capped trigonal prismatic geometry around the Co(II) center, coordinated by a hexadentate EDTA<sup>4−</sup> ligand and one water molecule. Two hydrazinium cations and two lattice water molecules participate in an extensive hydrogen bonding network that stabilizes the crystal structure. Spectroscopic techniques (UV–Vis, FT-IR, and Raman) supported the coordination environment and vibrational features. Magnetic susceptibility confirmed the paramagnetic nature of Co(II), and molar conductivity indicated its ionic behavior in solution. Thermal analysis differentiated between coordinated and lattice water molecules. Hirshfeld surface analysis showed that O•••H and H•••H interactions dominate the packing. DNA binding studies, including UV–visible titration and fluorescence spectroscopy, demonstrated strong affinity toward calf-thymus DNA, with a binding constant of K<sub>b</sub> = 4.58 × 10<sup>6</sup>&#xa0;M<sup>−1</sup>. These complementary studies provide a detailed understanding of the complex’s structural, thermal, and supramolecular properties, along with its bioinorganic relevance. The results highlight the unique coordination geometry, intermolecular interactions, and potential biological activity of this underexplored class of hydrazinium EDTA-based cobalt(II) complexes.</p>

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Structural elucidation, DNA binding affinity and Hirshfeld surface analysis of a novel seven-coordinated cobalt(II) complex

  • 期刊论文

  • 发表日期：

    2025年8月28日

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  • K. Naresh,
  • B. N. Sivasankar,
  • S. Madhankumar,
  • C. Balakrishnan,
  • M. Prabakaran

摘要

A novel seven-coordinated cobalt(II) complex, (N2H5)2[Co(EDTA)(H2O)]·2H2O, was synthesized in aqueous medium and structurally characterized. Elemental, hydrazine, and metal content analyses confirmed the proposed stoichiometry. Single-crystal X-ray diffraction revealed a distorted capped trigonal prismatic geometry around the Co(II) center, coordinated by a hexadentate EDTA4− ligand and one water molecule. Two hydrazinium cations and two lattice water molecules participate in an extensive hydrogen bonding network that stabilizes the crystal structure. Spectroscopic techniques (UV–Vis, FT-IR, and Raman) supported the coordination environment and vibrational features. Magnetic susceptibility confirmed the paramagnetic nature of Co(II), and molar conductivity indicated its ionic behavior in solution. Thermal analysis differentiated between coordinated and lattice water molecules. Hirshfeld surface analysis showed that O•••H and H•••H interactions dominate the packing. DNA binding studies, including UV–visible titration and fluorescence spectroscopy, demonstrated strong affinity toward calf-thymus DNA, with a binding constant of Kb = 4.58 × 106 M−1. These complementary studies provide a detailed understanding of the complex’s structural, thermal, and supramolecular properties, along with its bioinorganic relevance. The results highlight the unique coordination geometry, intermolecular interactions, and potential biological activity of this underexplored class of hydrazinium EDTA-based cobalt(II) complexes.