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Updated: Jun 1, 2026
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Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
1-(1,3-Benzodioxol-5-yl)pentan-1-one.
Xiao-Ming Wang1, Wei Cheng, Yu-Wang Han
1Department of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 210009, People's Republic of China.
Summary
This study details the crystal structure of a benzodioxole compound, revealing a planar ring system. Intermolecular interactions like hydrogen bonds and pi-pi contacts stabilize the molecular arrangement in the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Interactions
Background:
- Benzodioxole derivatives are important scaffolds in medicinal chemistry and materials science.
- Understanding the solid-state structure is crucial for predicting chemical properties and designing new compounds.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(12)H(14)O(3).
- To identify and analyze intermolecular interactions governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of intermolecular interactions including hydrogen bonds and pi-pi contacts.
Main Results:
- The benzodioxole ring system in the title compound is essentially planar.
- Weak intermolecular C-H⋯O hydrogen bonds form chains along the c axis.
- Stabilizing pi-pi contacts were observed between benzodioxole ring systems, with centroid-centroid distances of 3.702(3) and 3.903(3) Å.
- Two C-H⋯π interactions were also identified.
Conclusions:
- The crystal structure is stabilized by a combination of hydrogen bonding and pi-pi stacking interactions.
- The planar nature of the benzodioxole core influences the observed packing and intermolecular forces.
- These findings contribute to the understanding of structure-property relationships in benzodioxole compounds.
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