Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.009 A Ê R factor = 0.068 wR factor = 0.198 Data-to-parameter ratio = 9.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
(4R,9S)-4-Hydroxymethyl-3,8-dioxa-1,6-diazaspiro[4.4]nonane-2,7-dithione monohydrate
✍ Scribed by Cioci, Gianluca ;Leconte, Nicolas ;Tatibouët, Arnaud ;Rollin, Patrick ;Pérez, Serge ;Imberty, Anne
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 342 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 6 H 8 N 2 O 3 S 2 ÁH 2 O, was synthesized from l-erythrulose and the structure of the enantiopure (4R,9S) diastereoisomer has been determined. The structure is a hydrate and the water molecules establish a hydrogen-bond network that involves the hydroxymethyl group as well as one N and one S atom.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.005 A Ê R factor = 0.085 wR factor = 0.287 Data-to-parameter ratio = 15.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 200 K Mean '(C±C) = 0.011 A Ê R factor = 0.054 wR factor = 0.142 Data-to-parameter ratio = 8.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 17 H 29 NO 6 , crystallizes with two molecules in the asymmetric unit. The independent molecules differ in the conformation of the side chain attached to nitrogen. The piperidine ring adopts a chair conformation, with the 1,3-dioxolane ring occupying an axial position.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.048 wR factor = 0.135 Data-to-parameter ratio = 16.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.