4-(2-Hy-droxy-eth-oxy)phenol.
Anne C Meister1, Mathias Lang, Martin Nieger
1Institute of Organic Chemistry, Karlsruhe Institute of Technology, Fritz-Haber-Weg 6, 76131 Karlsruhe, Germany.
Acta Crystallographica. Section E, Structure Reports Online
|October 11, 2013
Summary
This study reveals distinct molecular arrangements and hydrogen bonding patterns in the crystal structure of C8H10O3. These findings enhance our understanding of molecular interactions and crystal packing in organic compounds.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the crystal structure of organic compounds is crucial for predicting their physical and chemical properties.
- Molecular conformation and intermolecular interactions, such as hydrogen bonding, significantly influence crystal packing.
Purpose of the Study:
- To elucidate the detailed crystal structure of the title compound, C8H10O3.
- To characterize the different molecular orientations and hydrogen bonding networks present in the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of torsion angles and hydrogen bond distances/angles was performed to describe molecular and intermolecular features.
Main Results:
- The asymmetric unit contains four molecules of C8H10O3, exhibiting variations in hydroxy-ethyl group orientation.
- Two types of strong hydrogen bonds were identified: alcohol O-H to alcohol O and alcohol O-H to ether O.
- Weak C-H to ether O hydrogen bonds contribute to the overall crystal structure stabilization.
Conclusions:
- The crystal structure of C8H10O3 is characterized by conformational polymorphism of the hydroxy-ethyl group.
- A complex network of strong and weak hydrogen bonds dictates the crystal packing and stability.
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