3-Nitro-phenol-1,3,5-triazine-2,4,6-tri-amine (2/1)

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Materials Science

Background:

• Melamine is a versatile nitrogen-rich compound with applications in materials science.
• Nitro-phenols are important functional molecules used in various chemical syntheses.
• Understanding crystal structures informs the design of new materials with specific properties.

Purpose of the Study:

• To characterize the crystal structure of the melamine-3-nitro-phenol co-crystal.
• To investigate the intermolecular interactions governing the crystal packing.
• To elucidate the supramolecular assembly of melamine and 3-nitro-phenol.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of hydrogen bonding (O-H⋯N, N-H⋯N, N-H⋯O) was performed.
• Weak interactions, including C-H⋯π and π-π stacking, were identified and analyzed.

Main Results:

• The asymmetric unit contains one melamine and two 3-nitro-phenol molecules.
• The 3-nitro-phenol molecules are nearly orthogonal to the melamine plane (dihedral angles of 82.77° and 88.36°).
• A three-dimensional network is formed through extensive hydrogen bonding and weak π-π interactions.

Conclusions:

• The crystal structure reveals a complex supramolecular architecture driven by hydrogen bonding.
• The orthogonal arrangement of nitro-phenol molecules influences the overall network formation.
• This study provides insights into the co-crystallization behavior of melamine and substituted phenols.