2-Amino-5-methyl-pyridinium nitrate

Area of Science:

• Crystal engineering
• Supramolecular chemistry
• Materials science

Background:

• Hydrogen bonding plays a crucial role in the self-assembly of crystalline structures.
• Understanding intermolecular interactions is key to designing novel materials with specific properties.

Purpose of the Study:

• To elucidate the crystal structure of the 2-amino-5-methyl-pyridinium nitrate salt.
• To investigate the role of hydrogen bonding in the formation of its extended structure.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding networks, including graph set notation, was performed.

Main Results:

• The crystal structure features a 2-amino-5-methyl-pyridinium cation and a nitrate anion.
• Cyclic hydrogen bonds (R(4)(3)(12)) link the cation and anion through pyridinium and amine N-H groups.
• These units further assemble into zigzag chains parallel to the a axis via secondary cyclic associations (R(2)(2)(8)) involving N-H⋯O and C-H⋯O interactions.

Conclusions:

• The study successfully characterized the hydrogen bonding motifs governing the crystal packing of 2-amino-5-methyl-pyridinium nitrate.
• The identified zigzag chain structure highlights the predictable nature of supramolecular assembly driven by specific hydrogen bonds.