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Ismael Angel-Nieto1, Rosa Elena Arroyo-Carmona2, Aarón Pérez-Benítez2

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Summary

Researchers synthesized a novel copper complex, [CuCl2(secnid-azole)2], using acetic acid. This study details its crystal structure, revealing a square-planar coordination and a hydrogen-bonded supramolecular network.

Keywords:
coordination compoundcrystal structurehydrogen bondssecnidazolesupra­molecular structure

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Area of Science:

  • Coordination Chemistry
  • Crystal Engineering
  • Pharmaceutical Chemistry

Background:

  • Secnid-azole is an active pharmaceutical ingredient used to treat anaerobic bacterial infections.
  • Previous synthesis of the copper-secnid-azole complex used ethanol as a solvent, without reporting crystal structure.
  • Acetic acid (HOAc) is employed as a solvent in this study.

Purpose of the Study:

  • To synthesize and characterize the novel copper-secnid-azole complex, [CuCl2(secnid-azole)2].
  • To elucidate the crystal structure of the complex.
  • To investigate the supramolecular architecture and bonding interactions.

Main Methods:

  • Reaction of CuCl2·2H2O with secnid-azole in acetic acid.
  • Single-crystal X-ray diffraction analysis.
  • Analysis of hydrogen bonding and supramolecular network formation.

Main Results:

  • The title complex, [CuCl2(secnid-azole)2], was successfully synthesized.
  • The crystal structure reveals a Cu2+ cation with square-planar coordination geometry.
  • A hydrogen-bonded framework involving intermolecular O-H⋯Cl interactions forms a supramolecular network with R(18) ring motifs, creating chains in the [010] direction.

Conclusions:

  • The use of acetic acid facilitates the formation of a well-defined copper-secnid-azole complex with a reported crystal structure.
  • The study highlights the role of hydrogen bonding in constructing supramolecular architectures.
  • This research contributes to understanding the coordination chemistry of pharmaceutical compounds.