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2-(2-Chloro-phen-oxy)benzoic acid.

Lu Shi1, Qin Zhang, Qi Xiao

  • 1Department of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 210009, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online
|July 15, 2011
PubMed
Summary
This summary is machine-generated.

This study reveals the crystal structure of C(13)H(9)ClO(3), detailing how molecules form dimers through hydrogen bonds. These dimers create a 3D network via specific C-H⋯π interactions, influencing molecular arrangement.

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Area of Science:

  • Crystallography
  • Molecular Chemistry

Background:

  • Understanding molecular interactions is crucial in crystal engineering.
  • Carboxylic acid dimers are common motifs in crystal structures.

Purpose of the Study:

  • To elucidate the crystal structure of C(13)H(9)ClO(3).
  • To investigate the intermolecular interactions governing the crystal packing.

Main Methods:

  • Single-crystal X-ray diffraction was used to determine the crystal structure.
  • Analysis of hydrogen bonding and C-H⋯π interactions was performed.

Main Results:

  • The crystal structure exhibits classical O-H⋯O hydrogen-bonded carboxylic acid dimers.
  • These dimers are interconnected by C-H⋯π interactions, forming a 3D network.
  • A dihedral angle of 77.8(1)° was observed between the benzene rings.

Conclusions:

  • The crystal packing of C(13)H(9)ClO(3) is dominated by carboxylic acid dimerization and C-H⋯π interactions.
  • These interactions result in a robust three-dimensional supramolecular architecture.