2-(2-Meth-oxy-phen-yl)-4,5-bis-(4-methyl-phen-yl)-1H-imidazol-3-ium 2,4,6-tri-nitro-phenolate
Peter Solo1,2, M Arockia Doss3, Michael Pillay4
1Department of Chemistry, St. Joseph's College (A), Jakhama, Nagaland, 797001, India.
Iucrdata
|July 6, 2026
Summary
This study details the crystal structure of imidazolium picrate salt, revealing intra- and inter-molecular hydrogen bonds and pi-pi stacking interactions that stabilize its crystal packing. The picrate anion
Area of Science:
- Crystal Chemistry
- Supramolecular Chemistry
- Materials Science
Background:
- Imidazolium salts are versatile organic compounds with applications in various fields.
- Picrate anions are known for their energetic properties and ability to form salts.
- Understanding the crystal structure of such salts is crucial for predicting their properties and potential applications.
Purpose of the Study:
- To determine the crystal structure of the imidazolium picrate salt.
- To investigate the intermolecular interactions governing the supramolecular assembly.
- To analyze the hydrogen bonding network and pi-pi stacking interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to elucidate the crystal structure.
- The crystallographic data was analyzed to identify the space group and atomic positions.
- Structural analysis focused on hydrogen bonding and non-covalent interactions.
Main Results:
- The imidazolium picrate salt crystallizes in the triclinic space group P1.
- The crystal structure is stabilized by intra-molecular and inter-molecular N-H···O hydrogen bonds.
- Significant pi-pi stacking interactions between imidazolium and picrate rings contribute to the supramolecular architecture. Two nitro groups of the picrate anion were modeled as disordered over two positions.
Conclusions:
- The crystal structure of imidazolium picrate salt has been successfully determined.
- Hydrogen bonding and pi-pi stacking are key interactions driving the crystal packing.
- The findings provide insights into the solid-state behavior of imidazolium picrate salts.
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