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Updated: Jun 1, 2026

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
Bis(2-chloro-benz-yl)dimethyl-ammonium bromide
The crystal structure of a novel organic compound reveals a significant dihedral angle between aromatic rings. Weaker interactions, not strong hydrogen bonds, dictate its overall molecular arrangement and stability.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the factors governing molecular packing in organic crystals is crucial for materials science.
- Organic salts with halogen substituents offer unique possibilities for intermolecular interactions.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(16)H(18)Cl(2)N(+)·Br(-).
- To identify and analyze the dominant intermolecular interactions in the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of crystallographic data to identify and quantify non-covalent interactions.
Main Results:
- The crystal structure exhibits a dihedral angle of 57.73° between the aromatic ring planes.
- The structure is stabilized by a network of weaker interactions, including Cl⋯Cl, C-H⋯Cl, C-H⋯Br, and N(+)-Csp(3)-H⋯Br(-) contacts.
- No strong hydrogen bonds were observed.
Conclusions:
- The molecular architecture is primarily influenced by a combination of weaker intermolecular forces rather than strong hydrogen bonds.
- This detailed structural analysis provides insights into the design principles for organic materials with specific packing motifs.
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