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Isonicotinamide-Based Compounds: From Cocrystal to Polymer.

Francisco Sánchez-Férez1, Daniel Ejarque1, Teresa Calvet2

  • 1Departament de Química, Universitat Autònoma de Barcelona, 08193 Barcelona, Spain.

Molecules (Basel, Switzerland)
|November 21, 2019
PubMed
Summary
This summary is machine-generated.

This study details the synthesis and structural analysis of novel copper coordination compounds using acetate, 1,3-benzodioxole-5-carboxylate (Pip), and isonicotinamide (Isn) ligands. The research reveals diverse crystal structures, including a cocrystal, monomer, and coordination polymer, with Isn directing supramolecular assembly.

Keywords:
Cu(II) compoundsamide–amide patterncocrystalcoordination polymerisonicotinamide

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Area of Science:

  • Inorganic Chemistry
  • Crystal Engineering
  • Supramolecular Chemistry

Background:

  • Copper(II) complexes with carboxylate and N-donor ligands are of interest due to their diverse structures and potential applications.
  • The synthesis of coordination compounds often involves careful control of reaction conditions to achieve desired products.
  • Ligand design plays a crucial role in dictating the final supramolecular architecture.

Purpose of the Study:

  • To synthesize and characterize novel copper(II) coordination compounds.
  • To investigate the influence of isonicotinamide (Isn) on the formation of different structural motifs.
  • To elucidate the crystal structures and supramolecular assemblies of the synthesized compounds.

Main Methods:

  • Reaction of [Cu(μ-OAc)(μ-Pip)(MeOH)]₂ with isonicotinamide (Isn) in methanol.
  • Isolation and purification of resulting compounds through modification of reaction conditions and mechanical separation.
  • X-ray crystallography for structural elucidation of cocrystal, monomer, and coordination polymer.
  • Hirshfeld surface analysis and calculation of energy frameworks and lattice energies.

Main Results:

  • Three distinct compounds were synthesized: a cocrystal (2), a monomeric complex (3a), and a 2D/3D coordination polymer (4).
  • The 1,3-benzodioxole-5-carboxylate (Pip) ligand showed varied coordination modes (chelate and monodentate).
  • Isonicotinamide (Isn) was identified as the key ligand directing the formation of diverse supramolecular structures.

Conclusions:

  • The reaction conditions and ligand choice significantly influence the outcome of copper(II) coordination complex synthesis.
  • The study highlights the versatility of isonicotinamide in directing the assembly of complex supramolecular architectures.
  • Detailed structural and energetic analyses provide insights into the factors governing crystal packing and stability.