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Updated: May 31, 2026

Chemoselective Preparation of 1-Iodoalkynes, 1,2-Diiodoalkenes, and 1,1,2-Triiodoalkenes Based on the Oxidative Iodination of Terminal Alkynes
Published on: September 12, 2018
1-[4-(Iodo-meth-yl)cyclo-hex-yl]-4-methyl-benzene
The study determined the molecular structure of C(14)H(19)I, revealing a chair conformation for the cyclohexane ring with equatorial substituents. The dihedral angle between the cyclohexane and benzene rings was precisely measured.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
- Cyclohexane derivatives are common motifs in pharmaceuticals and materials science.
Purpose of the Study:
- To elucidate the precise molecular geometry of the title compound, C(14)H(19)I.
- To characterize the conformational preferences and substituent orientations within the molecule.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the atomic coordinates and bond parameters.
- The crystal structure was refined to a satisfactory R-factor.
Main Results:
- The cyclohexane ring was found to adopt a chair conformation.
- All substituents on the cyclohexane ring were observed to be in equatorial positions.
- The dihedral angle between the mean planes of the cyclohexane and benzene rings was determined to be 67.23(13)°.
Conclusions:
- The study provides definitive structural data for C(14)H(19)I.
- The observed conformation and substituent arrangement offer insights into the stereochemical preferences of this class of compounds.
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