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Updated: May 30, 2026

Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
4-[(4-Methyl-anilino)meth-yl]benzonitrile
1Ordered Matter Science Research Center, Southeast University, Nanjing 211189, People's Republic of China.
This study details the molecular structure of C(15)H(14)N(2), revealing two distinct molecular arrangements within its asymmetric unit. Analysis shows similar amine bond angles but differing dihedral angles between aromatic systems.
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 asymmetric unit provides the fundamental building block from which the entire crystal structure can be generated.
Purpose of the Study:
- To elucidate the detailed molecular geometry of the title compound, C(15)H(14)N(2).
- To analyze the conformational differences between independent molecules within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
- Crystallographic analysis was performed to examine bond angles, bond lengths, and dihedral angles.
Main Results:
- The asymmetric unit of C(15)H(14)N(2) contains two independent molecules.
- Similar C-N-C bond angles (120.96(16)° and 119.75(16)°) were observed for the amine linkage in both molecules.
- Significantly different dihedral angles (69.1(2)° and 79.9(2)°) between the connected benzene rings were found for the two independent molecules.
Conclusions:
- The crystal structure of C(15)H(14)N(2) exhibits conformational isomerism within the asymmetric unit.
- The observed differences in dihedral angles suggest potential variations in intermolecular interactions or packing forces influencing molecular conformation.
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