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2-Chloro-6-fluoro-benzoic acid.

Richard Betz¹, Thomas Gerber

¹Nelson Mandela Metropolitan University, Summerstrand Campus, Department of Chemistry, University Way, Summerstrand, PO Box 77000, Port Elizabeth 6031, South Africa.

Acta Crystallographica. Section E, Structure Reports Online

|July 15, 2011

Summary

This summary is machine-generated.

This study characterizes a twofold halogenated benzoic acid derivative, C(7)H(4)ClFO(2). Crystal analysis reveals specific bond angles and intermolecular interactions forming undulating sheets.

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Area of Science:

Crystallography
Organic Chemistry
Materials Science

Background:

Benzoic acid derivatives are important in various chemical applications.
Halogenation of organic molecules can significantly alter their properties.
Understanding crystal structures provides insights into molecular behavior.

Purpose of the Study:

To characterize the crystal structure of a twofold halogenated benzoic acid derivative (C(7)H(4)ClFO(2)).
To investigate the intermolecular interactions, including hydrogen bonding and C-H···F contacts.
To describe the resulting crystal packing and morphology.

Main Methods:

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

Main Results:

The compound C(7)H(4)ClFO(2) was identified as a twofold halogenated benzoic acid.
Intramolecular C-C-C angles within the aromatic ring range from 116.11° to 123.96°.
Carboxylic acid dimers formed via O-H⋯O hydrogen bonds were observed.
Undulating sheets were formed through C-H⋯F contacts, oriented perpendicular to the a axis.

Conclusions:

The crystal structure of this halogenated benzoic acid derivative is elucidated.
Intermolecular interactions play a crucial role in the self-assembly of the crystal.
The study provides fundamental structural data for this specific organic compound.