2,3-Diamino-pyridinium hydrogen malonate

Area of Science:

• Crystallography and Molecular Structure
• Supramolecular Chemistry

Background:

• Understanding the solid-state structures of molecular salts is crucial for predicting their physical and chemical properties.
• Hydrogen bonding plays a significant role in the self-assembly and stability of crystalline materials.

Purpose of the Study:

• To elucidate the detailed crystal structure of the molecular salt C5H8N3(+)·C3H3O4(-).
• To investigate the intermolecular interactions, including hydrogen bonding, that govern the crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular and crystal structure.
• Analysis of bond lengths, angles, and non-covalent interactions was performed.

Main Results:

• The cation (C5H8N3(+)) exhibits a nearly planar geometry.
• The anion (C3H3O4(-)) features an intramolecular hydrogen bond forming an S(6) ring.
• Cations and anions are organized into layers parallel to the ab plane through N-H⋯O hydrogen bonds and weak C-H⋯O interactions.

Conclusions:

• The crystal structure of C5H8N3(+)·C3H3O4(-) is characterized by planar cations and an anion with intramolecular hydrogen bonding.
• Layered supramolecular architecture arises from a combination of N-H⋯O and C-H⋯O hydrogen bonding interactions.