The absolute configuration of 1-epialexine hemihydrate.

Amber L Thompson, David J Watkin, Zoltan A Gal, Laurence Jones, Jackie Hollinshead, Sarah F Jenkinson, George W J Fleet, Robert J Nash

Department of Chemical Crystallography, Chemical Research Laboratory, Oxford University, Oxford, England. amber.thompson@chem.ox.ac.uk

Acta crystallographica. Section C, Crystal structure communications 2008 Dec

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The absolute and relative configurations of 1-epialexine are established by X-ray crystallographic analysis, giving (1S,2R,3R,7S,7aS)-1,2,7-trihydroxy-3-(hydroxymethyl)pyrrolizidine. The compound crystallizes as the hemihydrate C(8)H(15)NO(4) x 0.5H(2)O, with hydrogen bonds holding the water molecule in a hydrophilic pocket between epialexine bilayers. In addition, a comparison was made between results obtained from examination of the Bijvoet pairs from data sets collected using molybdenum and copper radiation.

Citation

Amber L Thompson, David J Watkin, Zoltan A Gal, Laurence Jones, Jackie Hollinshead, Sarah F Jenkinson, George W J Fleet, Robert J Nash. The absolute configuration of 1-epialexine hemihydrate. Acta crystallographica. Section C, Crystal structure communications. 2008 Dec;64(Pt 12):o649-52