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Updated: May 21, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
2,6-Dibromo-4-chloro-aniline.
Summary
This study details the crystal structure of a novel organic compound, revealing an almost planar molecular geometry. Intramolecular and intermolecular hydrogen bonds dictate its solid-state arrangement into chains.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding the relationship between molecular geometry and intermolecular forces is crucial in materials science.
- Hydrogen bonding plays a significant role in dictating crystal packing and material properties.
Purpose of the Study:
- To elucidate the crystal structure and hydrogen bonding network of the title compound, C(6)H(4)Br(2)ClN.
- To analyze the molecular planarity and the formation of hydrogen-bonded supramolecular structures.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular and crystal structure.
- Analysis of intermolecular interactions, specifically hydrogen bonds, was performed.
Main Results:
- The title compound, C(6)H(4)Br(2)ClN, exhibits an almost planar molecular conformation with a root-mean-square deviation of 0.024 Å.
- Two intramolecular N-H⋯Br hydrogen bonds were identified, forming S(5) rings.
- Intermolecular N-H⋯Br hydrogen bonds link the molecules into one-dimensional chains propagating along the [010] direction.
Conclusions:
- The crystal structure is dominated by a network of N-H⋯Br hydrogen bonds.
- The observed planarity and hydrogen bonding patterns provide insights into the solid-state behavior of this class of compounds.
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