5-(Pyridinium-4-yl)-1H-1,2,3,4-tetrazol-1-ide
2011

Crystal Structure of 5-(Pyridinium-4-yl)-1H-1,2,3,4-tetrazol-1-ide

publication Evidence: moderate

Author Information

Author(s): Xu Qian, Xu Jie

Primary Institution: Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing, People’s Republic of China

Hypothesis

The study aims to obtain phase transition crystals of a tetrazole compound.

Conclusion

The dielectric constant of the compound is temperature-independent, indicating it is not a real ferroelectric.

Supporting Evidence

  • The tetra­zole and pyridine rings are nearly coplanar with a dihedral angle of 2.08°.
  • Molecules are connected by classical N—H⋯N and weak C—H⋯N hydrogen bonds.
  • The dielectric constant ranges from 6.1 to 7.9 below the melting point.

Takeaway

The researchers looked at a special molecule and found that it doesn't change its electrical properties with temperature, which is important for electronics.

Methodology

Single crystals were obtained from an ethanol solution and analyzed using X-ray diffraction.

Limitations

The study does not report any significant phase transitions within the measured temperature range.

Digital Object Identifier (DOI)

10.1107/S1600536810050257

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