3,3'-Dimethyl-1,1'-ethyl-ene-diimidazolium dibromide

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Imidazole derivatives are important in various chemical applications.
• Understanding intermolecular interactions is key to designing novel materials.
• Halogenated organic compounds exhibit unique reactivity and structural properties.

Purpose of the Study:

• To synthesize and characterize a novel dication compound.
• To investigate the crystal structure and intermolecular interactions of the synthesized compound.
• To explore the role of C-H⋯Br interactions in crystal packing.

Main Methods:

• Synthesis of the title compound C(10)H(16)Br(2)N(4) via reaction of 1-methyl-imidazole and 1,2-dibromo-ethane in toluene.
• Single-crystal X-ray diffraction analysis to determine the crystal structure.
• Analysis of intermolecular and intramolecular C-H⋯Br interactions.

Main Results:

• Successful synthesis of the target dication compound.
• The crystal structure features a crystallographic inversion center at the midpoint of the ethane C-C bond, generating the complete dication.
• Weak intermolecular C-H⋯Br interactions link molecules into chains along the b axis.
• An intramolecular C-H⋯Br close contact was also identified.

Conclusions:

• The study successfully synthesized and characterized a novel dication compound.
• The crystal structure elucidation highlights the significance of C-H⋯Br interactions in directing crystal packing and stabilizing the molecular assembly.
• The findings contribute to the understanding of halogen bonding and supramolecular assembly in organic dication systems.