2-Amino-5-(1H-tetra-zol-5-yl)pyridin-1-ium nitrate.

Area of Science:

• Crystallography
• Chemical Physics
• Materials Science

Background:

• Understanding the molecular arrangement and intermolecular interactions in novel organic compounds is crucial for predicting their physical and chemical properties.
• Pyridine and tetrazole moieties are common in pharmaceuticals and materials, making their structural characterization important.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(6)H(7)N(6) (+)·NO(3) (-).
• To analyze the planarity of the pyridine and tetrazole rings and the nature of intermolecular interactions.
• To investigate the formation of a three-dimensional network through hydrogen bonding.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles to assess ring planarity.
• Identification and analysis of hydrogen bonding interactions (N-H⋯O, N-H⋯N, C-H⋯O, C-H⋯N).

Main Results:

• The crystal structure of C(6)H(7)N(6) (+)·NO(3) (-) was successfully determined.
• The pyridine and tetrazole rings were found to be nearly coplanar, with a small dihedral angle of 6.30(6)°.
• A robust three-dimensional network was formed via multiple hydrogen bonds, including N-H⋯O, N-H⋯N, C-H⋯O, and C-H⋯N interactions.

Conclusions:

• The near-coplanarity of the pyridine and tetrazole rings influences the overall molecular conformation.
• The extensive hydrogen bonding network dictates the crystal packing and stability.
• This structural information provides a foundation for further studies on the properties and applications of this compound.