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trans-2,5-Di-methyl-piperazine-1,4-diium dinitrate
Sofian Gatfaoui1, Thierry Roisnel2, Hassouna Dhaouadi3
1Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna Bizerte, Tunisia.
Summary
This study details the crystal structure of a piperazine salt, revealing how its organic cations and nitrate anions form layered structures through hydrogen bonding. The piperazine ring adopts a stable chair conformation with equatorial methyl groups.
Area of Science:
- Crystal engineering and supramolecular chemistry.
- Solid-state chemistry and structural analysis.
- Hydrogen bonding interactions in organic salts.
Background:
- Piperazine derivatives are important in medicinal chemistry and materials science.
- Understanding the solid-state structure of organic salts informs their physical properties.
- Hydrogen bonding plays a crucial role in the self-assembly of crystalline materials.
Purpose of the Study:
- To elucidate the crystal structure of the diprotonated piperazine dinitrate salt.
- To investigate the hydrogen bonding network and its role in crystal packing.
- To determine the conformational preferences of the organic cation in the solid state.
Main Methods:
- Single-crystal X-ray diffraction analysis.
- Analysis of intermolecular interactions, including hydrogen bonds.
- Conformational analysis of the piperazine ring.
Main Results:
- The crystal structure reveals a salt composed of diprotonated piperazine cations and nitrate anions.
- Corrugated layers are formed through bifurcated N-H⋯(O,O) and C-H⋯O hydrogen bonds.
- The piperazine ring adopts a centrosymmetric chair conformation with equatorial methyl groups.
Conclusions:
- The hydrogen bonding network dictates the layered supramolecular architecture.
- The observed conformation is consistent with steric and electronic factors.
- This structural insight contributes to the understanding of piperazine-based salt crystal engineering.