4,4'-Bipyridinium 1,4-phenyl-ene-diacetate

Area of Science:

• Crystal Engineering
• Supramolecular Chemistry
• Materials Science

Background:

• Understanding the self-assembly of organic molecules is crucial for designing novel materials.
• Coordination compounds and organic salts offer versatile platforms for supramolecular architecture.

Purpose of the Study:

• To elucidate the crystal structure and supramolecular assembly of a novel compound composed of 4,4 -bipyridinium and 1,4-phenylenediacetate.
• To investigate the role of hydrogen bonding and pi-pi interactions in directing the formation of extended networks.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
• Analysis of intermolecular interactions, including hydrogen bonds and pi-pi stacking, was performed.

Main Results:

• The title compound, C(10)H(10)N(2) (2+)·C(10)H(8)O(4) (2-), crystallizes with inversion centers in both the cation and anion.
• N-H⋯O hydrogen bonds link the 4,4 -bipyridinium cations and 1,4-phenylenediacetate anions into one-dimensional supramolecular chains.
• These chains further interact through pi-pi stacking (centroid-centroid distance = 3.938(2) Å) to form a two-dimensional supramolecular sheet.

Conclusions:

• The study successfully characterized a 2D supramolecular sheet built from 4,4 -bipyridinium and 1,4-phenylenediacetate units.
• Hydrogen bonding and pi-pi interactions are key driving forces for the observed self-assembly.
• The findings contribute to the understanding of crystal engineering principles for designing functional supramolecular materials.