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Updated: Jun 1, 2026
19:58
Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
1,3-Bis(hydroxy-meth-yl)benzimidazolin-2-one
Summary
This study details the crystal structure of a benzimidazole derivative, revealing its molecular arrangement and hydrogen bonding network. The compound forms a 3D crystal lattice through specific intermolecular interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Benzimidazole derivatives are important scaffolds in medicinal chemistry and materials science.
- Understanding the solid-state structure is crucial for predicting material properties and designing new compounds.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(9)H(10)N(2)O(3).
- To analyze the intermolecular interactions governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of hydrogen bonding and dihedral angles was performed.
Main Results:
- The asymmetric unit contains one and a half molecules, with one molecule on a twofold rotation axis.
- A dihedral angle of 18.96° was observed between the two independent benzimidazole ring systems.
- A three-dimensional network was formed via O-H⋯O and C-H⋯O hydrogen bonds.
Conclusions:
- The crystal structure provides insights into the self-assembly of this benzimidazole derivative.
- The identified hydrogen bonding patterns are key to the compound's solid-state architecture.
- This structural information can guide future design of related functional materials.
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