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Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
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4-Ethynyl-N,N-di-phenyl-aniline
1College of Chemical Engineering and Food Science, Hubei University of Arts and Science, Xiangyang 441053, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 24, 2014
Summary
This study details the crystal structure of C20H15N, revealing two independent molecules with trigonal planar nitrogen atoms. These molecules form a three-dimensional network through specific intermolecular interactions in the crystal lattice.
Area of Science:
- Crystallography
- Molecular structure determination
- Supramolecular chemistry
Background:
- Understanding molecular arrangements is crucial in materials science.
- Intermolecular forces dictate crystal packing and properties.
- Aromatic compounds with nitrogen heterocycles exhibit diverse applications.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C20H15N.
- To analyze the molecular geometry and intermolecular interactions.
- To describe the three-dimensional supramolecular architecture.
Main Methods:
- Single-crystal X-ray diffraction was employed for structural analysis.
- The asymmetric unit was characterized, containing two independent molecules.
- Intermolecular C-H⋯π interactions were identified and analyzed.
Main Results:
- The asymmetric unit contains two crystallographically independent C20H15N molecules (A and B).
- Nitrogen atoms in both molecules exhibit approximate trigonal planar geometry.
- Molecules are interconnected via C-H⋯π interactions, forming a 3D crystal structure.
Conclusions:
- The crystal structure of C20H15N is characterized by independent molecules with planar nitrogen centers.
- C-H⋯π interactions are the primary driving force for the observed three-dimensional packing.
- This structural information contributes to the understanding of nitrogen-containing aromatic compounds.
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