1,1'-(2,2-Di-phenyl-ethene-1,1-di-yl)bis-(3,5-dimethyl-1H-pyrazol-2-ium) dichloride.

Area of Science:

• Crystal Engineering
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding the solid-state behavior of organic dicationic compounds is crucial for designing new materials.
• Ethene derivatives with pyrazolinium units offer unique structural and electronic properties.
• Intermolecular interactions play a key role in stabilizing crystal structures.

Purpose of the Study:

• To elucidate the crystal structure of a specific dicationic ethene derivative (C24H26N4^2+·2Cl^-).
• To investigate the intermolecular interactions governing the crystal packing.
• To characterize the formation of a three-dimensional network within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the crystal structure.
• The triclinic space group P1 was identified for the title compound.
• Intermolecular interactions, including N-H⋯Cl, C-H⋯Cl, and C-H⋯π, were analyzed.

Main Results:

• The title compound crystallizes as a dication with chloride counter-ions.
• A robust three-dimensional network is formed through a combination of hydrogen bonding and van der Waals forces.
• Disordered solvent molecules were observed within the crystal structure, indicating potential porosity.

Conclusions:

• The study successfully characterized the crystal structure of a novel dicationic ethene derivative.
• The findings highlight the importance of non-covalent interactions in constructing complex supramolecular architectures.
• The presence of voids suggests potential applications in host-guest chemistry or material design.