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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
N'-(5-Bromo-2-hydroxy-benzyl-idene)-3-hydroxy-benzohydrazide
1Department of Chemistry, Qufu Normal University, Qufu 273165, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of a brominated organic compound, C(14)H(11)BrN(2)O(3). The research reveals two unique molecular conformations and their arrangement via hydrogen bonds in the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular conformation and intermolecular interactions is crucial for predicting material properties.
- Crystal structure analysis provides fundamental insights into the solid-state behavior of organic compounds.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(14)H(11)BrN(2)O(3).
- To investigate the conformational variations and intermolecular hydrogen bonding network within the crystal.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles characterized molecular geometry.
- Intermolecular interactions, including hydrogen bonds, were identified and analyzed.
Main Results:
- The asymmetric unit contains two crystallographically independent molecules of C(14)H(11)BrN(2)O(3) with distinct conformations.
- Dihedral angles between aromatic rings varied significantly between the two independent molecules (55.0(7)° and 16.3(7)°).
- A network of intermolecular hydrogen bonds (N-H⋯O, O-H⋯O, O-H⋯N) was observed, forming chains along the a-axis.
Conclusions:
- The crystal structure of C(14)H(11)BrN(2)O(3) exhibits conformational polymorphism within the asymmetric unit.
- Intermolecular hydrogen bonding plays a significant role in stabilizing the crystal packing and directing the formation of one-dimensional chains.
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