Abstract

In the title com-plex, [Cu(C18H12F6N2O4)]·0.5C6H6O2, the CuII ion has a square-planar coordination geometry, being ligated by two N and two O atoms of the tetra-dentate open-chain Schiff base ligand 6,6'-{(1E,1'E)-[ethane-1,2-diylbis(aza-nylyl-idene)]bis-(methanylyl-idene)}bis-[2-(tri-fluoro-meth-oxy)phenol]. The crystal packing is stabilized by intra-molecular O-H⋯O and inter-molecular C-H⋯F, C-H⋯O and C-H⋯π hydrogen bonds. In addition, weak π-π inter-actions form a three-dimensional structure. Hirshfeld surface analysis and two-dimensional fingerprint plots were performed and created to analyze the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from F⋯H/H⋯F (25.7%), H⋯H (23.5%) and C⋯H/H⋯C (12.6%) inter-actions.

Highlights

  • In the title complex, [Cu(C18H12F6N2O4)]Á0.5C6H6O2, the CuII ion has a squareplanar coordination geometry, being ligated by two N and two O atoms of the tetradentate open-chain Schiff base ligand 6,60-{(1E,10E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(trifluoromethoxy)phenol]

  • The crystal packing is stabilized by intramolecular O—HÁ Á ÁO and intermolecular C—HÁ Á ÁF, C—HÁ Á ÁO and C—HÁ Á Á hydrogen bonds

  • Hirshfeld surface analysis and two-dimensional fingerprint plots were performed and created to analyze the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from FÁ Á ÁH/HÁ Á ÁF (25.7%), HÁ Á ÁH (23.5%) and CÁ Á ÁH/HÁ Á ÁC (12.6%) interactions

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Summary

Chemical context

Metal complexes of Schiff bases have different applications because of their different heteroatoms (N, S, Cl etc.), functional groups, -electron density, isomer structures and easy synthesis (El-Samanody et al, 2017). In nature, metal complexes are encountered in many reactions, such as binding to DNA or enzymes (Li et al, 2010). For this reason, metal complexes are of increasing interest in the fields of medicine and chemical synthesis with attractive functional properties and stable structures. Salen-type Schiff bases [salen is N,N0-bis(salicylidene)ethylenediamine] have been synthesized by many research groups from different diamines and derivatives of benzaldehyde (Prushan et al, 2007). A salen-type Schiff base has been synthesized from 2-hydroxy-5-(trifluoromethoxy)benzaldehyde with ethylenediamine by a condensation reaction.

Structural commentary
Hirshfeld surface analysis
Supramolecular features
Database survey
Synthesis and crystallization
Findings
Refinement
Full Text
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