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Melaminium 2,4,6-trihydroxy-benzoate dihydrate.

Timothy J Prior¹, Osman Goch, Rebecca L Kift

¹Department of Chemistry, University of Hull, Kingston upon Hull HU6 7RX, England.

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This study details the crystal structure of a melamine-benzoic acid co-crystal hydrate. It reveals extensive hydrogen bonding forming a three-dimensional network, crucial for understanding crystal packing and intermolecular interactions.

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Area of Science:

Crystal Engineering
Supramolecular Chemistry
Materials Science

Background:

Melamine and benzoic acid are common organic building blocks.
Hydrogen bonding plays a critical role in crystal structure formation.
Co-crystals offer tunable properties through molecular assembly.

Purpose of the Study:

To characterize the crystal structure of a novel melamine-benzoic acid co-crystal hydrate.
To investigate the hydrogen bonding interactions within the crystal lattice.
To understand the self-assembly mechanism leading to the 3D network.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of hydrogen bonding networks using crystallographic data.

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Identification of symmetry elements and their role in network formation.

Main Results:

The crystal structure consists of melaminium cations, benzoate anions, and water molecules.
Planar melaminium and benzoate ions form an intermolecular hydrogen-bonded pair.
A three-dimensional hydrogen-bonded network is assembled through extensive N-H···N and O-H···O interactions.

Conclusions:

The melaminium-benzoate co-crystal hydrate exhibits a robust 3D hydrogen-bonded network.
The observed hydrogen bonding pattern is consistent with known interactions in similar melamine compounds.
Understanding these interactions is key for designing new materials with desired properties.