Tetra-methyl-ammonium hydrogen terephthalate

Area of Science:

• Crystal engineering and supramolecular chemistry.
• Solid-state chemistry and materials science.

Background:

• Understanding the self-assembly of organic salts is crucial for designing novel materials.
• Hydrogen bonding interactions play a key role in dictating crystal packing and network formation.

Purpose of the Study:

• To elucidate the crystal structure and supramolecular architecture of the tetramethylammonium hydrogen terephthalate salt.
• To investigate the role of hydrogen bonding in organizing the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding interactions (O-H···O and C-H···O) was performed.

Main Results:

• The asymmetric unit contains half a tetramethylammonium cation and half a hydrogen terephthalate anion.
• Terephthalate anions form a 1D polymeric chain via a short symmetric O-H···O hydrogen bond.
• A 3D supramolecular network is generated through bifurcated C-H···O hydrogen bonds between cations and anions.

Conclusions:

• The crystal structure exhibits a robust 3D supramolecular network driven by specific hydrogen bonding patterns.
• The charge distribution within the terephthalate anion suggests significant delocalization.
• This study provides insights into the rational design of crystalline materials based on organic salts.