2-Amino-3-nitro-pyridinium perchlorate

Area of Science:

• Crystallography and Materials Science
• Supramolecular Chemistry

Background:

• Understanding the crystal structures of organic salts is crucial for predicting their physical and chemical properties.
• Nitro-substituted pyridinium compounds are of interest due to their potential applications in nonlinear optics and energetic materials.

Purpose of the Study:

• To determine the crystal structure of the title compound, 2-amino-3-nitro-pyridinium perchlorate.
• To investigate the intermolecular interactions, including hydrogen bonding and weak interactions, that stabilize the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to elucidate the three-dimensional molecular and crystal structure.
• Analysis of bond lengths, bond angles, and non-covalent interactions (hydrogen bonds, C-H···O interactions) was performed.

Main Results:

• The crystal structure consists of discrete perchlorate anions and 2-amino-3-nitro-pyridinium cations.
• The pyridinium ring is nearly planar, with a maximum deviation of 0.007(8) Å.
• A three-dimensional network is formed through N-H···O hydrogen bonds linking undulating cation chains and connecting cations to anions, along with weak C-H···O interactions.

Conclusions:

• The crystal packing is dominated by a robust network of hydrogen bonds and weaker interactions.
• The structural analysis provides fundamental insights into the solid-state behavior of this nitro-pyridinium salt.