From a hexane solution, the title compound, C 14 H 21 IO 2 S, crystallizes in the centrosymmetric space group Pbca with one molecule in the asymmetric unit. As a result of the bulky substituent, small deviations from ideal bond angles are found for the aliphatic part of the molecule.
(2R,4R)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene
✍ Scribed by Reiß, Guido J. ;Masnyk, Marek
- Publisher
- International Union of Crystallography
- Year
- 2001
- Tongue
- English
- Weight
- 252 KB
- Volume
- 57
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.006 A Ê R factor = 0.035 wR factor = 0.066 Data-to-parameter ratio = 15.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
The title compound, C 18 H 28 N 2 , with a crystallographic twofold rotation axis, can function as a C 2 -symmetric diamine ligand.
In the molecule of the title compound, C~28~H~42~O~2~, the two cyclohexane rings adopt chair conformations. The olefinic bond and carbonyl group are approximately coplanar.
Single-crystal X-ray study T = 223 K Mean (C-C) = 0.008 A R factor = 0.045 wR factor = 0.110 Data-to-parameter ratio = 32.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 14 H 13 ClO 4 S, the dihedral angle between the two benzene rings is 73.0 (2) . The supramolecular aggregation is completed by means of C-HÁ Á ÁO hydrogen bonds involving a sulfone O atom and an aromatic CH group, forming centrosymmetric dimers.