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Updated: May 20, 2026
19:58
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)-4-Chloro-benzyl-idene]pyridine-4-carbohydrazide monohydrate
Summary
This study describes the crystal structure of a Schiff base compound, revealing two independent molecules and water molecules forming a 3D hydrogen-bonded network. The crystal was identified as a pseudo-merohedral twin.
Area of Science:
- Crystallography
- Materials Science
- Organic Chemistry
Background:
- Schiff bases are versatile organic compounds with diverse applications.
- Understanding the crystal structure provides insights into molecular interactions and material properties.
- Hydrogen bonding plays a crucial role in the self-assembly of crystalline structures.
Purpose of the Study:
- To determine the crystal structure of the title compound, C(13)H(10)ClN(3)O·H(2)O.
- To analyze the conformation and intermolecular interactions within the crystal lattice.
- To characterize the twinning nature of the crystal.
Main Methods:
- Single-crystal X-ray diffraction was employed to collect diffraction data.
- The crystal structure was solved and refined using crystallographic software.
- Analysis of hydrogen bonding and twinning was performed.
Main Results:
- The asymmetric unit contains two independent Schiff base molecules in an E conformation and two water molecules.
- A three-dimensional network is formed through various hydrogen bonds (N-H⋯O, O-H⋯N, O-H⋯O, C-H⋯O).
- The crystal was identified as a pseudo-merohedral twin with a specific twin law and component ratio.
Conclusions:
- The crystal structure of the Schiff base compound C(13)H(10)ClN(3)O·H(2)O has been elucidated.
- The intricate hydrogen bonding network dictates the three-dimensional supramolecular architecture.
- The presence of pseudo-merohedral twinning is an important characteristic of this crystal sample.
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