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Updated: Jun 2, 2026

A Two-Step Protocol for Umpolung Functionalization of Ketones Via Enolonium Species
Published on: August 16, 2018
2-(4-Chloro-anilino)-1-phenyl-ethanone
This study details the molecular structure of C(14)H(12)ClNO, revealing a nearly planar configuration. The two aromatic rings exhibit a slight dihedral angle, indicating minimal deviation from planarity.
Area of Science:
- Crystallography
- Molecular Structure Analysis
- Organic Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their chemical and physical properties.
- Aromatic compounds are fundamental building blocks in many pharmaceuticals and materials.
Purpose of the Study:
- To determine the precise three-dimensional structure of the title compound, C(14)H(12)ClNO.
- To quantify the planarity and inter-ring angles within the molecule.
Main Methods:
- Single-crystal X-ray diffraction was employed to obtain the molecular structure.
- Analysis of atomic coordinates to calculate root-mean-square deviation and dihedral angles.
Main Results:
- The crystal structure of C(14)H(12)ClNO was determined.
- The molecule exhibits a high degree of planarity, with an r.m.s. deviation of 0.0372 Å for non-hydrogen atoms.
- A small dihedral angle of 4.16° was observed between the two aromatic ring planes.
Conclusions:
- The title compound, C(14)H(12)ClNO, possesses a nearly planar molecular geometry.
- The observed planarity and dihedral angle provide insights into the electronic and steric interactions within the molecule.
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