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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-Cyano-anilinium bromide
1Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
Summary
This study examines the crystal structure of a benzonitrile derivative. Researchers found the molecule
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding molecular arrangements in crystals is crucial for predicting material properties.
- Benzonitrile derivatives are important building blocks in organic synthesis and materials science.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(7)H(7)N(2) (+)·Br(-).
- To investigate the intermolecular interactions governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction analysis was performed.
- Structural parameters, including bond lengths, angles, and deviations from planarity, were determined.
- Intermolecular interactions, specifically hydrogen bonds, were analyzed.
Main Results:
- The benzonitrile cation and benzene ring exhibit near-planarity (r.m.s. deviation = 0.0043 Å).
- The crystal structure is characterized by a two-dimensional network formed by N-H⋯Br hydrogen bonds between cations and anions.
- The network is oriented parallel to the (010) crystallographic plane.
Conclusions:
- The study provides detailed structural insights into the crystalline state of the benzonitrile derivative.
- The observed hydrogen bonding network dictates the supramolecular architecture in the solid state.
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