2-(Trifluoro­meth­yl)benzoic acid
2011

Crystal Structure of 2-(Trifluoromethyl)benzoic Acid

publication Evidence: moderate

Author Information

Author(s): Richard Betz, Thomas Gerber

Primary Institution: Nelson Mandela Metropolitan University

Hypothesis

The study aims to determine the crystal structure of 2-(trifluoromethyl)benzoic acid to enable comparative studies with other benzoic acid derivatives.

Conclusion

The crystal structure reveals that the carboxyl group is tilted with respect to the aromatic ring and forms hydrogen bonds leading to dimer formation.

Supporting Evidence

  • The carboxylic acid group is tilted by 16.8° with respect to the aromatic ring.
  • Hydrogen bonding leads to the formation of centrosymmetric dimers in the crystal structure.
  • The study provides insights into the coordination behavior of benzoic acid derivatives.

Takeaway

This study looks at the structure of a special type of benzoic acid that has a trifluoromethyl group, showing how its parts are arranged and how they stick together.

Methodology

X-ray diffraction was used to determine the crystal structure of the compound.

Digital Object Identifier (DOI)

10.1107/S1600536811009597

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