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April 1, 2026European Journal of ChemistryOpen Access

Synthesis, crystal structure, characterization, Hirshfeld surface, and DFT studies of a dimeric copper complex of 3-methylpyridine-2-carboxylic acid

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Authors

ADAnupam DattaVDVikas Kumar DakuaDRDebadrita Roy

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Overview

Dimeric copper complex exhibits a unique monoclinic structure, suggesting key noncovalent interactions.

Key Points

  • The study aims to synthesize and characterize a copper complex with 3-methylpyridine-2-carboxylic acid.
  • Synthesized copper complex (C14H12CuN2O4)n
  • Characterized using infrared spectroscopy, thermogravimetric analysis, and single-crystal X-ray diffraction
  • Performed DFT calculations and Hirshfeld surface analysis
  • Identified monoclinic crystal structure with quasioctahedral coordination geometry of Cu(II)
  • Determined unit-cell parameters: a = 4.9892 Å, b = 15.002 Å, c = 8.5649 Å, volume V = 638.49 ų
  • Revealed significant role of noncovalent interactions in stabilizing the supramolecular architecture

Cite This Study

Datta et al. (2026) studied this question.

synapsesocial.com/papers/69cd7a815652765b073a7c22https://doi.org/10.5155/eurjchem.17.1.62-68.2725
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