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08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
2-Carboxy-anilinium chloride monohydrate
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of a compound, revealing intramolecular hydrogen bonds that form a non-planar ring. Intermolecular interactions and pi-stacking also influence the molecular arrangement in the solid state.
Area of Science:
- Crystallography
- Molecular Structure
- Supramolecular Chemistry
Background:
- Understanding molecular interactions is crucial for materials science.
- Hydrogen bonding and pi-stacking play significant roles in crystal engineering.
Purpose of the Study:
- To elucidate the crystal structure of the title compound.
- To investigate the role of intra- and intermolecular interactions in its solid-state arrangement.
Main Methods:
- Single-crystal X-ray diffraction was employed.
- Analysis of hydrogen bonding networks and non-covalent interactions was performed.
Main Results:
- An intramolecular N-H⋯O hydrogen bond forms a flattened boat conformation in a six-membered ring.
- Intermolecular O-H⋯O and N-H⋯Cl hydrogen bonds link molecules in the crystal lattice.
- A C=O⋯π contact was observed between the carbonyl group and the benzene ring centroid.
Conclusions:
- The crystal structure is stabilized by a combination of hydrogen bonding and pi-stacking interactions.
- The observed conformation and intermolecular contacts dictate the packing in the solid state.
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