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Related Experiment Videos

4-Acetyl-piperazinium picrate.

Channappa N Kavitha1, Manpreet Kaur1, Jerry P Jasinski2

  • 1Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.

Acta Crystallographica. Section E, Structure Reports Online
|June 19, 2014
PubMed
Summary

This study details the crystal structure of 4-acetyl-piperazin-1-ium 2,4,6-tri-nitro-phenolate, revealing hydrogen bonds and pi-pi stacking interactions that stabilize its sheet-like crystal packing.

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Area of Science:

  • Crystallography
  • Chemical Physics

Background:

  • Salts formed from organic cations and picrate anions are of interest for their energetic properties and crystal structures.
  • Understanding the packing and interactions within these salts is crucial for predicting their physical and chemical behavior.

Purpose of the Study:

  • To elucidate the detailed crystal structure of 4-acetyl-piperazin-1-ium 2,4,6-tri-nitro-phenolate.
  • To identify and analyze the intermolecular interactions governing the crystal packing.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
  • Analysis of hydrogen bonding, C-H···O interactions, and π-π stacking was performed.

Main Results:

  • The piperazin-1-ium ring adopts a distorted chair conformation.

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  • The picrate anion exhibits twisting of nitro groups relative to the benzene ring.
  • Infinite chains are formed via N-H···O hydrogen bonds, further stabilized by weak C-H···O interactions and π-π stacking, resulting in a sheet structure.

    • Conclusions:

    • The crystal structure is stabilized by a combination of hydrogen bonding and weaker intermolecular forces.
    • The observed packing arrangement provides insights into the solid-state properties of this organic salt.