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Updated: May 31, 2026
11:51
Facile Preparation of 4-Substituted Quinazoline Derivatives
Published on: February 15, 2016
2-{4-[(Quinolin-8-yl-oxy)meth-yl]phen-yl}benzonitrile
1Ordered Matter Science Research Center, Southeast University, Nanjing 210096, People's Republic of China.
Summary
This study details the molecular structure of C(23)H(16)N(2)O, revealing specific bond angles and dihedral angles between its aromatic ring systems. These findings contribute to understanding the three-dimensional conformation of complex organic molecules.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure Analysis
Background:
- Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Complex organic compounds often exhibit unique conformational preferences due to steric and electronic interactions between their constituent parts.
Purpose of the Study:
- To elucidate the detailed molecular geometry of the title compound, C(23)H(16)N(2)O.
- To quantify the bond angle at the oxygen bridge and the dihedral angles between the aromatic ring systems.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
- Analysis of the crystallographic data provided precise measurements of bond angles and dihedral angles.
Main Results:
- The bond angle at the oxygen atom connecting the benzene and quinoline ring systems was determined to be 116.0(2)°.
- A dihedral angle of 16.5(2)° was observed between the quinoline ring system and the adjacent benzene ring.
- The dihedral angle between the two benzene rings of the biphenyl moiety was found to be 70.8(2)°.
Conclusions:
- The title compound exhibits a specific, non-planar conformation due to the observed dihedral angles.
- The precise geometric parameters provide valuable data for computational modeling and structure-activity relationship studies in related organic compounds.
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