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Updated: Jun 1, 2026
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Preparation of a Corannulene-functionalized Hexahelicene by Copper(I)-catalyzed Alkyne-azide Cycloaddition of Nonplanar Polyaromatic Units
Published on: September 18, 2016
2,6-Bis(4-methoxy-benzyl-idene)cyclo-hexa-none
1Liaocheng Vocational and Technical College, Liaocheng 252059, People's Republic of China.
Summary
This study details the molecular structure of C(22)H(22)O(3), revealing a central cyclohexanone ring with an envelope conformation. Crystal packing analysis identified weak intermolecular C-H⋯O hydrogen bonds, offering insights into molecular interactions.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
- Crystal packing influences macroscopic material properties and intermolecular interactions.
Purpose of the Study:
- To elucidate the precise molecular geometry and conformation of the title compound, C(22)H(22)O(3).
- To investigate the intermolecular interactions present in the crystalline state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of the crystal lattice to identify and characterize intermolecular forces.
Main Results:
- The central cyclohexanone ring adopts a distinct envelope conformation.
- A dihedral angle of 19.3(2)° was measured between the two outer aromatic rings.
- Weak intermolecular C-H⋯O hydrogen bonds were identified as a key feature of the crystal packing.
Conclusions:
- The determined molecular conformation and observed hydrogen bonding provide a detailed understanding of C(22)H(22)O(3) in the solid state.
- These findings contribute to the structure-property relationships in related organic compounds.
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