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2-(2H-Tetra-zol-5-yl)pyridinium perchlorate monohydrate.

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  • 1Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast UniVersity, Nanjing 210096, People's Republic of China.

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This study reveals the crystal structure of a pyridinium-tetrazole compound. Hydrogen bonds and pi-pi stacking interactions form ribbon-like structures in the solid state.

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Area of Science:

  • Crystallography
  • Supramolecular Chemistry
  • Organic Chemistry

Background:

  • Pyridinium and tetrazole moieties are important in medicinal chemistry and materials science.
  • Understanding the solid-state packing of such compounds is crucial for predicting their properties.

Purpose of the Study:

  • To elucidate the crystal structure and intermolecular interactions of a novel pyridinium-tetrazole compound.

Main Methods:

  • Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
  • Analysis of hydrogen bonding and pi-pi stacking interactions was performed.

Main Results:

  • The crystal structure of C(6)H(6)N(5) (+)·ClO(4) (-)·H(2)O was determined.
  • Pyridinium and tetrazole rings were found to be nearly coplanar with a dihedral angle of 1.2(2)°.
  • Ribbon-like structures were formed through intermolecular N-H⋯O and O-H⋯O hydrogen bonds.
  • Adjacent ribbons were linked by π-π stacking interactions between tetrazole rings (centroid-centroid distance of 3.484(2) Å).

Conclusions:

  • The study provides detailed insights into the supramolecular assembly of pyridinium-tetrazole compounds in the solid state.
  • The observed hydrogen bonding and π-π stacking interactions dictate the crystal packing and could influence material properties.