Picric acid-2,4,6-trichloro-aniline (1/1)

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding intermolecular forces is crucial for crystal engineering.
• Adduct formation between aromatic compounds can lead to novel material properties.

Purpose of the Study:

• To elucidate the crystal structure of the C(6)H(4)Cl(3)N·C(6)H(3)N(3)O(7) adduct.
• To investigate the nature of intermolecular interactions stabilizing the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed.
• The crystal structure was analyzed to determine molecular geometry and packing.

Main Results:

• The adduct features two benzene rings with a dihedral angle of 1.19°.
• Intermolecular N-H⋯O(nitro) hydrogen bonds and O-H⋯O interactions stabilize a chain structure.
• The inter-ring centroid-centroid separation is 4.816 Å.

Conclusions:

• The crystal structure is primarily dictated by hydrogen bonding interactions.
• The near-coplanar arrangement of aromatic rings influences the overall supramolecular architecture.