The relative configuration of the stereocentres in a potential hexosaminidase inhibitor, C 14 H 20 N 2 O 3 , prepared from d-lyxonolactone, has been established using X-ray crystallographic techniques.
2-Acetamido-N-benzyl-1,4-imino-1,2,4-trideoxy-l-arabinitol 0.33-hydrate
✍ Scribed by Harding, Christopher C. ;Rountree, J. S Shane ;Watkin, David J. ;Cowley, Andrew R. ;Butters, Terry D. ;Wormald, Mark R. ;Dwek, Raymond A. ;Fleet, George W. J.
- Book ID
- 104484197
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 627 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The solid-state conformation of the title compound, C 14 H 20 N 2 O 3 Á0.33H 2 O, a potent hexosaminidase inhibitor, prepared from d-lyxonolactone, has been established by X-ray crystallography. The asymmetric unit contains three molecules, which have very similar conformations, together with a molecule of water.
📜 SIMILAR VOLUMES
In the crystal structure of the title compound, C~29~H~27~NO~5~, the molecules assemble into a network structure by both intermolecular C—H...O hydrogen bonding and C—H...π stacking interactions.
Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.010 A Ê Disorder in main residue R factor = 0.074 wR factor = 0.235 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.