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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
6,6'-Dimeth-oxy-2,2',3,3',5-penta-nitro-1,1'-biphen-yl
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
The crystal structure of an axially chiral compound revealed a nearly perpendicular arrangement between its benzene rings. Molecules formed a 2D framework through weak C-H⋯O hydrogen bonds.
Area of Science:
- Organic Chemistry
- Crystallography
- Supramolecular Chemistry
Background:
- Axially chiral compounds are crucial in asymmetric synthesis and materials science.
- Understanding intermolecular interactions is key to designing novel crystal structures and materials.
- The title compound, C14H9N5O12, presents a unique structural motif for investigation.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C14H9N5O12.
- To analyze the dihedral angle between the benzene rings.
- To identify and characterize the intermolecular interactions responsible for the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and torsion angles provided detailed structural information.
- Non-covalent interaction analysis, including C-H⋯O hydrogen bonds, was performed.
Main Results:
- The title compound, C14H9N5O12, crystallizes in a specific space group.
- A significant dihedral angle of 86.0(8)° was measured between the two benzene rings, indicating a near-orthogonal orientation.
- A two-dimensional framework was observed, primarily stabilized by weak intermolecular C-H⋯O hydrogen bonds.
Conclusions:
- The determined crystal structure provides fundamental insights into the solid-state behavior of this axially chiral molecule.
- The near-perpendicular arrangement of benzene rings influences the overall molecular conformation and packing.
- The identified C-H⋯O hydrogen bonds play a critical role in the formation of the observed 2D supramolecular architecture.
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