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Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives

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J Kanchanadevi, G Anbalagan, V Saravanan

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|November 18, 2011

Summary

This summary is machine-generated.

This study details the crystal structure of a compound, C(12)H(14)O(4), revealing specific acetoxy group orientations. These groups facilitate intermolecular interactions, forming a dimer through hydrogen bonding.

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Area of Science:

Crystallography
Organic Chemistry
Supramolecular Chemistry

Background:

Understanding molecular interactions is crucial in crystal engineering.
Acetoxy groups can participate in various intermolecular forces.
Dimer formation influences bulk material properties.

Purpose of the Study:

To elucidate the crystal structure of the title compound, C(12)H(14)O(4).
To analyze the spatial arrangement and interactions of acetoxy groups.
To identify the supramolecular architecture formed by intermolecular forces.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular structure.
Analysis of bond lengths, angles, and intermolecular contacts was performed.
Crystal structure visualization and analysis of symmetry elements were conducted.

Main Results:

The compound C(12)H(14)O(4) exhibits specific acetoxy group inclinations of 57.92(5)° and 62.71(6)° relative to the benzene ring.
An intermolecular C-H⋯O interaction was identified between acetoxy groups.
This interaction leads to the formation of a centrosymmetric dimer with an R(2)(2)(16) ring motif.

Conclusions:

The crystal packing is governed by directed intermolecular C-H⋯O interactions.
The formation of dimers is a key feature of the compound's solid-state structure.
This structural insight contributes to the understanding of acetoxy group behavior in crystals.