Synthesis, Crystal Structure, and Hirshfeld Surface Analysis of a New Mixed Ligand Copper(II) Complex

Abstract

A new mixed ligand copper(II) complex, [Cu(2,4-pydc)(pic)(H2O)]∙H2O (1) (where 2,4-pydc = pyridine-2,4-dicarboxylate, pic = 2-picolylamine) has been synthesized and characterized by elemental analysis, FT-IR and UV-Vis spectroscopic and thermogravimetric methods. Single crystal X-ray diffraction analysis reveals that copper(II) atom in the title complex adopts distorted square pyramidal geometry. Structural characterization also reveals that interplay of O−H···O, N−H···O, C−H···O, and C–H···π interactions between lattice and coordinated water and ligands significantly contribute to the crystal packing leading to the formation and strengthening of three dimensional supramolecular assembly. Hirshfeld surface analysis employing 3D molecular surface contours and 2D fingerprint plots have been used to analyze intermolecular interactions present in the solid state of the crystal.

Keywords

• Copper(II) complex
• Crystal structure
• Hydrogen bonding
• Hirshfeld surface analysis
• TGA study