5-Chloro-2-hy-droxy-benzoic acid
Summary
This study reveals the crystal structure of C(7)H(5)ClO(3), highlighting intramolecular hydrogen bonds forming S(6) rings. Molecules further associate into inversion dimers via intermolecular hydrogen bonds, creating R(2)(2)(8) motifs.
Area of Science:
- Crystallography
- Chemical Physics
- Molecular Structure
Background:
- Understanding molecular interactions is crucial in chemical physics.
- Crystal structure analysis provides insights into intermolecular forces.
- Hydrogen bonding plays a significant role in molecular assembly.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(7)H(5)ClO(3).
- To identify and characterize hydrogen bonding interactions within the crystal lattice.
- To analyze the supramolecular architecture formed by the molecules.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of hydrogen bond geometries (O-H⋯O, C-H⋯O) was performed.
- Topological analysis of ring motifs (S(6), R(2)(2)(8)) was conducted.
Main Results:
- The asymmetric unit contains two molecules of C(7)H(5)ClO(3).
- Both molecules exhibit an intramolecular O-H⋯O hydrogen bond, forming an S(6) ring.
- In the crystal, molecules form inversion dimers through intermolecular O-H⋯O hydrogen bonds (R(2)(2)(8) ring motifs).
- Dimers are further connected by C-H⋯O interactions, contributing to the overall crystal packing.
Conclusions:
- The crystal structure of C(7)H(5)ClO(3) is characterized by specific intra- and intermolecular hydrogen bonding patterns.
- These hydrogen bonds dictate the formation of S(6) rings and R(2)(2)(8) inversion dimers.
- The study provides detailed information on the supramolecular assembly of C(7)H(5)ClO(3) in the solid state.
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