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Updated: Jun 1, 2026

Microwave-Assisted Preparation of 1-Aryl-1H-pyrazole-5-amines
Published on: June 23, 2019
2-Amino-5-(1H-tetra-zol-5-yl)pyridinium chloride
1Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
This study details the crystal structure of a salt containing protonated pyridine and tetrazole rings. Hydrogen bonds stabilize the crystal packing into infinite sheets, revealing insights into molecular interactions.
Area of Science:
- Crystallography
- Chemical Physics
- Materials Science
Background:
- Understanding the structural properties of organic salts is crucial for developing new materials.
- Protonation of heterocyclic rings influences molecular conformation and intermolecular interactions.
- Crystal packing dictates the macroscopic properties of solid-state compounds.
Purpose of the Study:
- To elucidate the crystal structure of the title salt, C(6)H(7)N(6) (+)·Cl(-).
- To analyze the conformation of the organic cations and their interactions within the crystal lattice.
- To investigate the role of hydrogen bonding in stabilizing the crystal structure.
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 provided conformational insights.
- Hydrogen bonding networks were identified and characterized.
Main Results:
- The asymmetric unit contains two organic cations and two chloride anions.
- Pyridine and tetrazole rings in the cations exhibit near-coplanarity with small dihedral angles (4.94(15)° and 5.41(14)°).
- Protonation of pyridine nitrogen atoms was confirmed.
- Crystal packing is stabilized by N-H⋯N and N-H⋯Cl hydrogen bonds, forming infinite sheets parallel to the (101) plane.
Conclusions:
- The study provides a detailed structural characterization of the title salt.
- The observed coplanarity of the rings and the hydrogen bonding network are key features of the crystal structure.
- The findings contribute to the understanding of structure-property relationships in organic salts.
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