Crystal structure of di-chlorido-bis-(4-ethyl-aniline-κN)zinc

Area of Science:

• Coordination Chemistry
• Crystal Engineering
• Materials Science

Background:

• Zinc dichloride is a versatile precursor in coordination chemistry.
• 4-ethyl-aniline is an organic ligand with potential applications in catalysis and materials.
• Understanding the structure-property relationships of metal-organic complexes is crucial for developing new functional materials.

Purpose of the Study:

• To synthesize and characterize a novel coordination compound of zinc dichloride with 4-ethyl-aniline.
• To elucidate the crystal structure and intermolecular interactions of the title compound.
• To investigate the coordination geometry around the zinc center.

Main Methods:

• Synthesis via reaction of zinc dichloride and 4-ethyl-aniline.
• Single-crystal X-ray diffraction analysis to determine the crystal structure.
• Analysis of bond distances, angles, and intermolecular interactions (hydrogen bonding, C-H···Cl).

Main Results:

• The title compound [ZnCl2(C8H11N)2] was successfully synthesized.
• A distorted tetrahedral coordination geometry (ZnN2Cl2) was observed around the central Zn(2+) ion.
• The crystal structure features N-H···Cl hydrogen bonds forming sheets and C-H···Cl interactions, with disordered ethyl substituents.

Conclusions:

• The study provides a detailed structural characterization of a new zinc-aniline complex.
• The observed hydrogen bonding network plays a significant role in the crystal packing and material properties.
• This work contributes to the understanding of zinc coordination complexes and their potential for supramolecular assembly.