4-Hydroxy-6-methyl-2-(sulfonatoethylsulfanyl)pyrimidin-1-ium monohydrate
✍ Scribed by Lynch, Daniel E. ;McClenaghan, Ian
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 137 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
In the title compound, C 11 H 16 ClN 2 O + ÁCl À , the chloroethyl side chain is in a synclinal conformation. The tetrahydropyridine ring adopts a half-chair conformation. The crystal structure is stabilized by intermolecular N-HÁ Á ÁCl hydrogen bonds.
ÁBr À ÁH 2 O, was determined at 150 K. It is a supramolecular adduct of imidazolium bromide and water molecules. Helical chains of (H 2 OÁBr À ) exist in the structure along the [001] direction. Each chain forms extensive hydrogen bonds with the imidazolium cations.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.045 wR factor = 0.125 Data-to-parameter ratio = 14.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 25 H 26 O 2 , was isolated and characterized as a stable intermediate in the conversion of 2,2-diphenylethyl 2,4,6-trimethylphenyl ketone to its formaldehyde-derived enone.