Login / Signup

Synthesis and structural characterization of hexa-μ2-chlorido-μ4-oxido-tetra-kis-{[4-(phenyl-ethyn-yl)pyridine-κN]copper(II)} di-chloro-methane monosolvate.

Rayya Al BalushiMuhammad S KhanMd Serajul Haque FaiziAshanul HaqueKieran MolloyPaul R Raithby
Published in: Acta crystallographica. Section E, Crystallographic communications (2021)
In the crystal structure of the title compound, [Cu4Cl6O(C13H9N)4]·CH2Cl2, the core mol-ecular structure consists of a Cu4 tetra-hedron with a central inter-stitial O atom. Each edge of the Cu4 tetra-hedron is bridged by a chlorido ligand. Each copper(II) cation is coordinated to the central O atom, two chlorido ligands and one N atom of the 4-phenyl-ethynyl-pyridine ligand. In the crystal, the mol-ecules are linked by inter-molecular C-H⋯Cl inter-actions. Furthermore, C-H⋯π and π-π inter-actions also connect the mol-ecules, forming a three-dimensional network. Hirshfeld surface analysis indicates that the most important contributions for the packing arrangement are from H⋯H and C⋯H/H⋯C inter-actions.
Keyphrases
  • molecular dynamics
  • escherichia coli
  • metal organic framework
  • electron transfer
  • room temperature
  • anaerobic digestion
  • carbon dioxide