(E)-3-Methyl-2,6-di-phenyl-piperidin-4-one O-(3-methyl-benzo-yl)oxime
V Kathiravan1, K Gokula Krishnan2, T Mohandas3
1Department of Physics, Goverment Arts College, Karur 639 005, India.
Acta Crystallographica. Section E, Structure Reports Online
|September 25, 2014
Summary
This study details the molecular structure of C26H26N2O2, revealing a chair conformation of the piperidine ring and equatorial phenyl attachments. Molecules form zigzag chains via C-H⋯O interactions in the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Piperidine derivatives are common scaffolds in medicinal chemistry and materials science.
- Detailed structural analysis provides fundamental insights into molecular behavior.
Purpose of the Study:
- To elucidate the precise crystal structure and molecular conformation of the title compound, C26H26N2O2.
- To investigate the intermolecular interactions governing the solid-state packing of the molecule.
- To provide a foundation for structure-property relationship studies of related compounds.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
- Analysis of bond lengths, bond angles, and dihedral angles characterized the molecular geometry.
- Crystal structure analysis identified intermolecular interactions, specifically C-H⋯O hydrogen bonds.
Main Results:
- The piperidine ring within C26H26N2O2 adopts a chair conformation.
- Both phenyl rings are attached equatorially to the central piperidine heterocycle.
- A dihedral angle of 57.58° exists between the planes of the phenyl rings.
- Molecules are interconnected into zigzag chains along the [001] direction through C-H⋯O interactions.
Conclusions:
- The crystal structure of C26H26N2O2 is fully characterized, highlighting specific conformational preferences.
- Intermolecular C-H⋯O interactions play a significant role in organizing the molecules in the solid state.
- The detailed structural data serves as a reference for future studies involving similar piperidine-based compounds.
![Solid-phase Synthesis of [4.4] Spirocyclic Oximes](/_next/image?url=https%3A%2F%2Fcloudfront.jove.com%2FCDNSource%2Fteasers%2F58508.jpg&w=3840&q=50)
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