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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 4-(dimethyl-amino)benzoate.
Summary
The crystal structure of C(11)H(15)NO(2) reveals nearly planar molecules. These molecules form chains through weak hydrogen bonds, indicating specific intermolecular interactions.
Area of Science:
- Crystallography
- Molecular Structure Analysis
Background:
- Understanding the three-dimensional arrangement of atoms in molecules is crucial for predicting chemical and physical properties.
- Intermolecular forces, such as hydrogen bonds, play a significant role in the self-assembly and macroscopic behavior of crystalline solids.
Purpose of the Study:
- To determine the precise crystal structure of the title compound, C(11)H(15)NO(2).
- To investigate the intermolecular interactions governing the packing of these molecules in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to collect diffraction data.
- The crystal structure was solved and refined to determine atomic positions and bond lengths.
Main Results:
- The title compound, C(11)H(15)NO(2), crystallizes with molecules that are essentially planar, exhibiting a root-mean-square deviation of 0.035 Å.
- A characteristic feature of the crystal packing is the formation of one-dimensional chains along the crystallographic a axis.
- These chains are stabilized by weak C-H⋯O hydrogen bonds, linking adjacent molecules.
Conclusions:
- The molecular planarity of C(11)H(15)NO(2) is a key structural feature.
- Weak C-H⋯O hydrogen bonds are the primary driving force for the observed chain-like assembly in the crystal structure.
- This structural information provides a foundation for understanding the compound's reactivity and potential applications.
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