The configuration of (3R,8aS)- 5-oxo-3-phenyl-2,3,6,7,8,8a-hexahydro-5H-oxazolo[3,2-a]pyridine 2 has been unambiguously confirmed by X-ray crystallographic analysis. A 1 H NMR-based method for the stereochemical assignment of 3,8a-cis and trans phenylglycinol-derived bicyclic lactams is also propose
trans-(3R,2aS)-(−)-3-Phenyl-2,3,5,6,7,8-hexahydro-oxazolo[3,2-a]pyridine-5-thione
✍ Scribed by Roa, Luis-Fernando ;Gnecco, Dino ;Galindo, Alberto ;Juárez, Jorge ;Terán, Joel L. ;Bernès, Sylvain
- Book ID
- 104480191
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 205 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The crystal structure of the title compound, C 13 H 15 NOS, is very similar to that of the corresponding oxazolopyridin-5one. However, a signi®cant participation of a tautomeric thio± enolic form is observed, as re¯ected by the short NÐC( S) bond length of 1.328 (4) A Ê .
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.045 wR factor = 0.124 Data-to-parameter ratio = 15.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.