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Updated: Jun 21, 2025
05:34
Efficient Synthesis of Polyfunctionalized Benzenes in Water via Persulfate-promoted Benzannulation of α,β-Unsaturated Compounds and Alkynes
Published on: December 16, 2019
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Benzene-1,2,4,5-tetrol
Benjamin L Weare1, Sean Hoggett2, William J Cull2
1Nanoscale and Microscale Research Centre, University of Nottingham, Nottingham, NG7 2RD, United Kingdom.
Iucrdata
|July 8, 2024
Summary
This study determined the crystal structure of a compound at 120 K, revealing intricate π-π stacking and hydrogen bonding interactions between four independent molecules in the asymmetric unit.
Area of Science:
- Crystallography
- Solid-state chemistry
- Molecular interactions
Background:
- Understanding molecular arrangement is crucial for predicting material properties.
- Crystal structure determination provides fundamental insights into intermolecular forces.
Purpose of the Study:
- To elucidate the crystal structure of the title compound.
- To analyze the nature of π-π stacking and hydrogen bonding in the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction at 120 K.
- Analysis of crystallographic data to identify molecular symmetry and packing.
Main Results:
- The compound crystallizes in the triclinic space group P.
- Four independent molecules were observed in the asymmetric unit.
- Distinct π-π stacking interactions and inter-molecular hydrogen bonds involving hydroxy groups were identified.
Conclusions:
- The crystal structure reveals a complex network of intermolecular interactions.
- The observed π-π stacking and hydrogen bonding dictate the compound's solid-state architecture.
- This structural information is vital for further studies on the compound's physical and chemical properties.
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