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Updated: Jun 1, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
3-Cyano-N-(2-hydroxy-benz-yl)anilinium chloride
1Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
Summary
This study details the crystal structure of a compound, highlighting the near-parallel benzene rings with a slight twist. Hydrogen bonds form chains linking the molecules in the crystal lattice.
Area of Science:
- Crystallography
- Solid-state chemistry
- Molecular structure analysis
Background:
- Understanding molecular arrangements in crystals is crucial for predicting material properties.
- Intermolecular interactions, such as hydrogen bonding, dictate crystal packing and stability.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(14)H(13)N(2)O(+)·Cl(-).
- To analyze the spatial arrangement of benzene rings and the role of hydrogen bonding in crystal formation.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, bond angles, and intermolecular contacts.
Main Results:
- The crystal structure reveals two benzene rings in close proximity, with a small dihedral angle of 2.87°.
- Weak intermolecular hydrogen bonds (N-H⋯Cl and O-H⋯Cl) were identified.
- These interactions link cations and anions into extended chains along the crystal's b axis.
Conclusions:
- The compound exhibits a specific molecular conformation in the solid state, influenced by pi-stacking interactions.
- Hydrogen bonding plays a significant role in organizing the crystal lattice, forming one-dimensional chains.
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