2-Amino-anilinium 6-carb-oxy-picolinate monohydrate

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Diaminobenzene and pyridine-2,6-dicarboxylic acid are important organic building blocks.
• Understanding the interactions in crystalline co-crystals is crucial for materials science.

Purpose of the Study:

• To characterize the crystal structure of the co-crystal formed by diaminobenzene and pyridine-2,6-dicarboxylic acid monohydrate.
• To investigate the hydrogen bonding patterns and molecular arrangements in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and intermolecular interactions (hydrogen bonds).

Main Results:

• The crystal structure consists of protonated diaminobenzene cations and deprotonated pyridine-2,6-dicarboxylic acid anions, along with water molecules.
• The pyridine-2,6-dicarboxylic acid anion exhibits specific dihedral angles between its carboxylate groups and the pyridine ring.
• Extensive hydrogen bonding networks (N-H⋯O, N-H⋯N, O-H⋯O) were observed, linking the ionic components and water molecules.

Conclusions:

• The study elucidates the precise arrangement and interactions within the crystal lattice.
• The identified hydrogen bonding network dictates the supramolecular architecture and stability of the co-crystal.
• This detailed structural information contributes to the understanding of co-crystal formation and design.