The crystal structure of the title compound, C 21 H 27 NO 4 S, con®rms the presence of a monoalkylated sulfonamide group and that the propenyl group of the synthetic precursor has isomerized into the more thermodynamically favoured styrene. Analysis of the structure reveals that it is held together
1-Ethynyl-2-isopropoxy-3-methoxybenzene
✍ Scribed by Williams, Craig M. ;Mander, Lewis N. ;Bernhardt, Paul V.
- Book ID
- 104480277
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 152 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.002 A Ê R factor = 0.039 wR factor = 0.112 Data-to-parameter ratio = 14.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 100 K Mean (C-C) = 0.006 A R factor = 0.070 wR factor = 0.165 Data-to-parameter ratio = 10.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 7 H 6 BrClO, is a starting material for the synthesis of hydroxylated metabolites of polychlorinated biphenyls (PCBs). The title compound does not display any unusual bond distances and angles. The methoxy group is rotated slightly out of the plane of the benzene ring.
The title compound, C 24 H 18 , possesses a twofold rotation axis, which bisects the 1,2-dimethylbenzene ring. In the crystal structure, all three benzene rings are essentially coplanar, the angle between the central and terminal rings being 3.8 (1) .
Methyl 4-nitrophenyl ketone was brominated by copper(II) bromide in methanol; the ketone reacts with the solvent in situ to yield the title compound, C 10 H 12 BrNO 4 , which exists as a monomeric molecule.