Ammonium 4-(4-carb-oxy-phen-oxy)benzoate

Area of Science:

• Crystal Engineering
• Supramolecular Chemistry
• Materials Science

Background:

• Understanding crystal structures is crucial for designing new materials.
• Hydrogen bonding plays a key role in molecular self-assembly.
• Carboxylate and ammonium groups are common functional groups in crystal engineering.

Purpose of the Study:

• To elucidate the crystal structure of the title ammonium salt.
• To investigate the role of hydrogen bonding in the salt's architecture.
• To analyze the specific interactions between ammonium cations and carboxylate anions.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of intermolecular interactions, including hydrogen bonding and C-H···O interactions.
• Geometric analysis of the anion, including dihedral angles between aromatic rings.

Main Results:

• The crystal structure features polyanionic chains formed by intermolecular carboxylate-carboxylate hydrogen bonds.
• Ammonium cations link these chains into a two-dimensional layer structure.
• The ammonium cation acts as a hydrogen bond donor to four carboxylate oxygen atoms, with both cation and anion occupying special positions.

Conclusions:

• The study successfully determined the detailed crystal structure and supramolecular arrangement.
• The ammonium cation plays a vital role in connecting anionic chains into a layered framework.
• The observed hydrogen bonding patterns provide insights into the design principles for related crystalline materials.