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Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
N'-(4-Fluoro-benzyl-idene)-3,4,5-trimethoxy-benzohydrazide
Dao-Hang He1, Yong-Chuang Zhu, Zhuo-Ru Yang
1School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the molecular structure of a novel compound, C(17)H(17)FN(2)O(4), highlighting its potential in pharmaceutical and agrochemical applications. The research reveals specific molecular conformations and intermolecular interactions influencing its properties.
Area of Science:
- Medicinal Chemistry
- Organic Chemistry
- Crystallography
Background:
- The compound C(17)H(17)FN(2)O(4) exhibits potential pharmaceutical and agrochemical activities.
- Understanding the precise molecular structure is crucial for optimizing its biological functions.
Purpose of the Study:
- To elucidate the three-dimensional structure of C(17)H(17)FN(2)O(4).
- To investigate the conformational characteristics and intermolecular interactions of the compound.
- To provide a structural basis for its potential applications.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of C-C-O-C torsion angles and phenyl ring dihedral angles provided conformational insights.
- Identification of intermolecular hydrogen bonds (N-H⋯O) revealed crystal packing motifs.
Main Results:
- The crystal structure of C(17)H(17)FN(2)O(4) was determined.
- All three methoxy groups exhibit significant twisting relative to the aromatic ring (torsion angles: 10.43(18)°, 97.38(14)°, -19.34(17)°).
- The phenyl ring is oriented at a dihedral angle of 40.6(2)° relative to the molecular plane.
- Intermolecular N-H⋯O hydrogen bonds form chains along the c-axis, indicating specific crystal packing.
Conclusions:
- The detailed structural analysis provides critical information on the compound's conformation.
- The identified hydrogen bonding network suggests potential for supramolecular assembly.
- These structural findings support further investigation into the pharmaceutical and agrochemical potential of C(17)H(17)FN(2)O(4).
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