1,1'-Dimethyl-4,4'-bipyridinium bis-(triiodide)

Area of Science:

• Crystallography
• Materials Science
• Supramolecular Chemistry

Background:

• The 1,1 -dimethyl-4,4 -bipyridinium (DMBP) dication is a key component in various functional materials.
• Understanding the solid-state structure of DMBP salts is crucial for predicting and designing their properties.

Purpose of the Study:

• To elucidate the crystal structure of the 1,1 -dimethyl-4,4 -bipyridinium bis(triiodide) compound.
• To investigate the intermolecular interactions and packing arrangements within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure of the compound.
• Structural analysis involved identifying the dication and anion components and their spatial arrangement.

Main Results:

• The compound crystallizes as 1,1 -dimethyl-4,4 -bipyridinium dication (C(12)H(14)N(2) (2+)) charge-balanced by two triiodide anions (2I(3) (-)).
• The DMBP dication exhibits a planar geometry within experimental error (0.010 (5) Å).
• Weak C-H⋯I interactions were observed, linking the ions into layered sheets parallel to the (121) crystallographic plane.

Conclusions:

• The crystal structure reveals a well-defined, planar DMBP dication.
• The observed weak interactions play a significant role in the supramolecular assembly, forming extended sheet structures.