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Updated: May 31, 2026
11:45
Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles
Published on: August 22, 2018
3,4,5-Trihy-droxy-benzoic acid
Summary
This study details the molecular structure of a compound (C7H6O5), highlighting its three hydroxy groups and internal hydrogen bonds. Crystal analysis reveals intermolecular hydrogen bonds and close oxygen-oxygen contacts between adjacent molecules.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic compounds is crucial for predicting their properties and reactivity.
- Hydrogen bonding plays a significant role in molecular interactions and crystal packing.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of the title compound, C7H6O5.
- To investigate the presence and geometry of intra- and intermolecular hydrogen bonds.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and non-bonded contacts was performed.
Main Results:
- The compound C7H6O5 exhibits three hydroxy groups oriented in the same direction.
- Two intramolecular O-H⋯O hydrogen bonds were identified within the molecule.
- Several intermolecular O-H⋯O hydrogen bonds were observed in the crystal lattice.
- A short contact of 2.7150(18) Å between oxygen atoms of para-OH groups of adjacent molecules was noted.
Conclusions:
- The crystal structure of C7H6O5 is characterized by specific hydroxy group orientation and significant hydrogen bonding.
- Intramolecular hydrogen bonds contribute to the molecule's conformation.
- Intermolecular interactions, including hydrogen bonds and short O⋯O contacts, dictate the crystal packing and stability.
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