2-(4-Hydroxy-phen-yl)acetic acid-4,4'-bipyridine (1/1)

Area of Science:

• Crystal Engineering
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding the self-assembly of organic molecules is crucial for designing novel materials.
• Hydrogen bonding plays a key role in directing the formation of complex supramolecular architectures.
• The specific interactions between carboxylic acids and pyridine derivatives are of interest for creating ordered structures.

Purpose of the Study:

• To elucidate the crystal structure of the complex formed between benzoic acid and 2,2'-bipyridine.
• To investigate the role of intermolecular hydrogen bonding in the self-assembly process.
• To characterize the resulting supramolecular framework.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and torsion angles provided detailed structural information.
• Identification and analysis of intermolecular interactions, specifically hydrogen bonds, were performed.

Main Results:

• The crystal structure reveals the presence of both the acid (benzoic acid, C8H8O3) and base (2,2'-bipyridine, C10H8N2) components.
• A significant acetyl C-C-C-O torsion angle of -32.1(3)° was observed in the acid molecule.
• A dihedral angle of 23.41(10)° between the pyridine rings was measured in the base molecule.
• Intermolecular O-H⋯N hydrogen bonds were identified, linking the acid and base molecules.
• These hydrogen bonds facilitate the formation of a one-dimensional triple-helix framework along the b axis.

Conclusions:

• The crystal structure of the benzoic acid-2,2'-bipyridine complex has been successfully determined.
• Intermolecular hydrogen bonding is the primary driving force for the formation of the observed one-dimensional triple-helix supramolecular framework.
• This study provides insights into the rational design of crystalline materials with specific architectures based on acid-base interactions.