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Updated: Jun 5, 2026
11:51
Facile Preparation of 4-Substituted Quinazoline Derivatives
Published on: February 15, 2016
1-Phenyl-2-trifluoro-methyl-4-quinolone
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the molecular structure of a novel compound, C(16)H(10)F(3)NO. The research highlights the near-orthogonal orientation of its phenyl and quinolinyl rings, crucial for avoiding steric hindrance.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Understanding molecular conformation is key in drug design and materials science.
- Steric hindrance significantly influences molecular geometry and reactivity.
Purpose of the Study:
- To elucidate the three-dimensional structure of the molecule C(16)H(10)F(3)NO.
- To investigate the conformational preferences driven by substituents.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed.
- Analysis of bond lengths, bond angles, and dihedral angles.
Main Results:
- The N-bound phenyl ring is oriented nearly orthogonal to the quinolinyl ring.
- A dihedral angle of 89.7(1)° was measured between the phenyl and quinolinyl rings.
- This orientation minimizes steric clashes with the trifluoro-methyl substituent.
Conclusions:
- The determined molecular structure provides insight into packing and intermolecular interactions.
- The observed conformation is a direct consequence of steric repulsion, influencing the molecule's overall shape.
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