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Updated: Jun 5, 2026

Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
(E)-N-(2,3,4-Trimeth-oxy-6-methyl-benzyl-idene)aniline
1Department of Chemistry and Chemical Engineering, Weifang University, Weifang 261061, People's Republic of China.
This study details the crystal structure of a novel organic compound, C(17)H(19)NO(3). The research highlights specific molecular angles and stabilizing interactions within its crystalline form, offering insights into its chemical architecture.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- The study of crystalline structures provides fundamental insights into intermolecular forces and packing arrangements.
Purpose of the Study:
- To elucidate the detailed crystal structure of the title compound, C(17)H(19)NO(3).
- To quantify key conformational parameters, including torsion and dihedral angles between aromatic rings.
- To identify and describe the non-covalent interactions stabilizing the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, torsion angles, and dihedral angles was performed.
- Identification of intermolecular interactions such as hydrogen bonds and π-π stacking was conducted.
Main Results:
- The crystal structure of C(17)H(19)NO(3) was successfully determined.
- A significant C-C=N-C torsion angle of -177.3(2)° and a dihedral angle of 54.6(2)° between the benzene and phenyl rings were observed.
- The crystal lattice is stabilized by intramolecular hydrogen bonds and weak intermolecular π-π and C-H⋯π interactions.
Conclusions:
- The determined crystal structure provides a precise molecular model for C(17)H(19)NO(3).
- The conformational preferences and stabilizing interactions offer valuable data for structure-property relationship studies in related organic compounds.
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