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Updated: May 22, 2026

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
1-Octyl-1H-benzimidazol-2(3H)-one
The crystal structure of a novel organic compound reveals an octyl group in an all-trans conformation. Molecules self-assemble into dimers through hydrogen bonds, forming a specific crystal lattice structure.
Area of Science:
- Organic Chemistry
- Crystallography
- Supramolecular Chemistry
Background:
- Understanding the conformational preferences and intermolecular interactions of organic molecules is crucial in materials science.
- Crystal engineering aims to design materials with specific properties based on molecular arrangement.
Purpose of the Study:
- To determine the crystal structure of the title compound, C(15)H(22)N(2)O.
- To analyze the conformational behavior of the octyl group and identify intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to elucidate the three-dimensional structure of the compound.
- Analysis of the crystal structure using graph-set notation to describe hydrogen bonding patterns.
Main Results:
- The octyl group within the C(15)H(22)N(2)O molecule adopts an all-trans conformation.
- Molecules form centrosymmetric dimers, characterized by the R(2)(2)(8) graph-set motif.
- N-H⋯O hydrogen bonds and C-H⋯O contacts mediate the crystal packing.
Conclusions:
- The study provides detailed structural information on the title compound.
- The observed hydrogen bonding and conformational preferences dictate the supramolecular assembly in the solid state.
- This structural insight can contribute to the design of related organic materials.
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