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Updated: May 18, 2026

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
N'-[(E)-(3-Fluoro-pyridin-2-yl)methyl-idene]benzohydrazide monohydrate
This study details the crystal structure of a fluorinated benzohydrazide hydrate, revealing its near-planar E conformation. The research highlights key hydrogen bonding and pi-stacking interactions within the crystal lattice.
Area of Science:
- Crystallography
- Chemical Physics
- Molecular Structure
Background:
- Understanding the molecular arrangement and intermolecular forces is crucial for predicting material properties.
- Benzohydrazide derivatives are important scaffolds in medicinal chemistry and materials science.
Purpose of the Study:
- To elucidate the crystal structure and conformation of a specific fluorinated benzohydrazide hydrate.
- To investigate the intermolecular interactions, including hydrogen bonding and pi-stacking, present in the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided insights into molecular geometry.
- Intermolecular interactions were identified and characterized through crystallographic analysis.
Main Results:
- The title compound, C(13)H(10)FN(3)O·H(2)O, adopts an E conformation around the azomethane C=N double bond.
- The molecule exhibits a near-planar geometry, with the pyridine ring nearly coplanar to the central C(=O)N(2)C unit.
- Significant intermolecular interactions including O-H⋯N, N-H⋯O, O-H⋯O hydrogen bonds, C-H⋯O hydrogen bonds, and C-F⋯π interactions were observed.
Conclusions:
- The crystal structure provides a detailed understanding of the molecular packing and stabilizing forces.
- The identified intermolecular interactions are key determinants of the solid-state properties of this compound.
- This structural data serves as a foundation for further studies on related fluorinated benzohydrazide derivatives.
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