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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
4-Nitro-phenyl 4-bromo-benzene-sulfonate
The dihedral angle between benzene rings in the C(12)H(8)BrNO(5)S molecule was determined to be 30.02°. Crystal structure analysis revealed stabilization through weak carbon-hydrogen-oxygen interactions.
Area of Science:
- Crystallography
- Molecular structure analysis
- Supramolecular chemistry
Background:
- Understanding molecular conformation is crucial for predicting chemical properties.
- Intermolecular forces significantly influence crystal packing and stability.
Purpose of the Study:
- To determine the precise dihedral angle between the benzene rings in the title molecule.
- To investigate the non-covalent interactions stabilizing the crystal structure.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the molecular and crystal structure.
- Geometric parameters, including dihedral angles, were accurately measured.
Main Results:
- The dihedral angle between the two benzene rings was found to be 30.02° (±0.07°).
- Weak C-H⋯O interactions were identified as the primary stabilizing forces within the crystal lattice.
Conclusions:
- The determined dihedral angle provides key conformational information for the C(12)H(8)BrNO(5)S molecule.
- The identified C-H⋯O interactions highlight the importance of weak forces in crystal engineering and material design.
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