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Updated: Jun 1, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
2,5-Dichloro-anilinium chloride monohydrate
Summary
This study details the crystal structure of a compound containing cations, chloride anions, and water molecules. These components interact via hydrogen bonding, revealing specific bonding patterns between the charged groups and water.
Area of Science:
- Crystal chemistry
- Supramolecular chemistry
Background:
- Understanding the hydrogen bonding networks in crystalline solids is crucial for predicting material properties.
- The specific interactions of ammonium cations with anions and solvent molecules influence crystal packing and stability.
Purpose of the Study:
- To elucidate the crystal structure and hydrogen bonding characteristics of the title compound, C(6)H(6)Cl(2)N(+)·Cl(-)·H(2)O.
- To analyze the specific roles of ammonium cations, chloride anions, and water molecules in forming the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of hydrogen bonding interactions (N-H⋯Cl, O-H⋯Cl, N-H⋯O) was performed based on the determined atomic coordinates.
Main Results:
- The crystal structure consists of discrete cations (C(6)H(6)N(+)), chloride anions (Cl(-)), and water molecules (H(2)O).
- Detailed hydrogen bonding analysis revealed specific interactions: ammonium N-H groups acting as donors to chloride and water acceptors, and chloride anions accepting hydrogen bonds from both water and ammonium groups.
Conclusions:
- The compound exhibits a well-defined hydrogen bond network involving all constituent species.
- The observed hydrogen bonding patterns dictate the specific arrangement of ions and water molecules within the crystal structure.
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