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Updated: Jun 1, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
Ethyl 2-acetyl-3-(4-bromo-anilino)butanoate
Summary
This study reveals the crystal structure of a novel organic compound, C(14)H(18)BrNO(3). The molecule exhibits an extended conformation, with key functional groups adopting a trans configuration and forming hydrogen bonds in the crystal lattice.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Crystallography provides precise details about molecular conformations and intermolecular interactions in the solid state.
Purpose of the Study:
- To determine the crystal structure of the title compound, C(14)H(18)BrNO(3).
- To elucidate the molecular conformation and intermolecular interactions of the compound in the solid state.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to obtain the crystal structure.
- Analysis of torsion angles and hydrogen bonding patterns was performed.
Main Results:
- The title compound, C(14)H(18)BrNO(3), adopts an extended molecular conformation.
- Main-chain torsion angles related to ester and amino groups were found to be close to trans.
- Inversion dimers, stabilized by N-H⋯O hydrogen bonds, were observed in the crystal packing.
Conclusions:
- The crystal structure provides definitive information on the conformation of C(14)H(18)BrNO(3).
- The observed hydrogen bonding network highlights the intermolecular forces governing the crystal assembly.
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