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Updated: May 18, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
(E)-4-Meth-oxy-N'-[(pyridin-4-yl)methyl-idene]benzohydrazide monohydrate
Acta Crystallographica. Section E, Structure Reports Online
|September 13, 2012
Summary
This study details the crystal structure of a novel organic compound, C(14)H(13)N(3)O(2)·H(2)O. The research highlights its E conformation, specific torsion and dihedral angles, and intermolecular hydrogen bonding interactions in the solid state.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
- Hydrogen bonding plays a significant role in molecular self-assembly and crystal engineering.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(14)H(13)N(3)O(2)·H(2)O.
- To analyze the conformational preferences and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, bond angles, torsion angles, and intermolecular contacts was performed.
Main Results:
- The azomethine double bond exhibits an E conformation with a torsion angle of 178.37(19)°.
- A small dihedral angle of 5.58(12)° between the benzene and pyridine rings indicates near-planarity.
- The crystal structure is stabilized by a network of O-H⋯O, O-H⋯N, N-H⋯O, and C-H⋯O hydrogen bonds, forming (001) sheets.
Conclusions:
- The title compound crystallizes as a hydrate with a well-defined molecular conformation.
- The extensive hydrogen bonding network dictates the supramolecular architecture in the solid state.
- The structural insights gained can inform the design of related organic materials.
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