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Related Experiment Video

Updated: Jun 5, 2026

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions

Published on: July 30, 2017

2-Chloro-phenyl 4-methyl-benzoate.

B Thimme Gowda, Sabine Foro, K S Babitha

Acta Crystallographica. Section E, Structure Reports Online

|January 5, 2011

Summary

The C=O bond in the title compound is anti to the chlorine atom, mirroring observations in related benzoate esters. This structural characteristic influences the molecule

Area of Science:

Organic Chemistry
Crystallography

Background:

Understanding molecular conformation is crucial in organic chemistry.
Previous studies on benzoate esters provide comparative structural data.

Purpose of the Study:

To determine the molecular conformation of the title compound, C(14)H(11)ClO(2).
To compare the observed conformation with related benzoate ester structures.

Main Methods:

Single-crystal X-ray diffraction analysis was employed.
Conformational analysis focused on the C=O bond orientation and dihedral angles.

Main Results:

The conformation of the carbonyl (C=O) bond was found to be anti relative to the chlorine (Cl) atom.
The dihedral angle between the two aromatic rings was determined to be 59.36(7)°.

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This conformation is similar to that observed in 2-methyl-phenyl 4-methyl-benzoate.

Conclusions:

The anti conformation of the C=O bond is a notable feature of the title compound's crystal structure.
The observed dihedral angle provides insight into the spatial arrangement of the aromatic rings within the molecule.