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Preparation of Contiguous Bisaziridines for Regioselective Ring-Opening Reactions
Published on: July 28, 2022
Dibenzyl-aza-nium chloride
Acta Crystallographica. Section E, Structure Reports Online
|March 14, 2012
Summary
This study details the crystal structure of a salt, revealing a nonplanar molecule with phenyl rings. Hydrogen bonds link ions into a zigzag chain in the crystal lattice.
Area of Science:
- Crystal engineering
- Supramolecular chemistry
- Organic chemistry
Background:
- Understanding the relationship between molecular structure and crystal packing is crucial for designing new materials.
- Hydrogen bonding plays a significant role in directing the self-assembly of molecules in the solid state.
Purpose of the Study:
- To characterize the crystal structure of the title salt (C14H16N+·Cl-).
- To investigate the intermolecular interactions, specifically hydrogen bonding, that govern crystal packing.
- To analyze the molecular conformation and its influence on the supramolecular architecture.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure of the salt.
- Analysis of bond lengths, bond angles, and dihedral angles provided insights into the molecular geometry.
- Intermolecular interactions, including N-H⋯Cl hydrogen bonds, were identified and analyzed.
Main Results:
- The crystal structure of the title salt, C14H16N+·Cl-, was successfully elucidated.
- The molecule exhibits a nonplanar conformation, with a significant dihedral angle of 70.92(5)° between the terminal phenyl rings.
- N-H⋯Cl hydrogen bonds were observed, linking the cations and anions into a zigzag supramolecular chain along the [100] direction.
Conclusions:
- The crystal structure is dictated by the interplay of molecular conformation and specific intermolecular interactions.
- The identified hydrogen bonding network provides a pathway for the formation of extended supramolecular structures.
- This structural information contributes to the broader understanding of salt crystal engineering and supramolecular assembly.
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