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11:45
Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles
Published on: August 22, 2018
4-Bromo-2,6-dimethyl-anilinium bromide monohydrate
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
The crystal structure of a novel brominated organic compound was determined. Hydrogen bonds involving water molecules and bromide ions play a key role in stabilizing its crystal lattice.
Area of Science:
- Crystallography
- Materials Science
- Organic Chemistry
Background:
- Understanding the intermolecular forces governing crystal structures is crucial for materials design.
- Hydrogen bonding networks significantly influence the packing and properties of crystalline solids.
- The study of halogenated organic compounds is important for developing new functional materials.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(8)H(11)BrN(+)·Br(-)·H(2)O.
- To identify and analyze the hydrogen bonding interactions present in the crystal lattice.
- To understand how these interactions contribute to the overall crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of the crystal structure involved identifying hydrogen bond donors and acceptors.
- Intermolecular interactions, specifically hydrogen bonds (N-H⋯O, N-H⋯Br, O-H⋯Br), were characterized.
Main Results:
- The crystal structure of C(8)H(11)BrN(+)·Br(-)·H(2)O was successfully resolved.
- A complex network of hydrogen bonds, including N-H⋯O, N-H⋯Br, and O-H⋯Br interactions, was identified.
- These hydrogen bonds were found to be the primary driving force for the consolidation of the crystal packing.
Conclusions:
- The crystal structure is stabilized by an intricate network of hydrogen bonds.
- The identified hydrogen bonding patterns provide insights into the solid-state behavior of this brominated organic compound.
- This structural information is valuable for predicting and potentially tuning the properties of related materials.
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