The absolute configuration of 1-epialexine hemihydrate.
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.
Thompson
Amber L
AL
Department of Chemical Crystallography, Chemical Research Laboratory, Oxford University, Oxford, England. amber.thompson@chem.ox.ac.uk
Watkin
David J
DJ
Gal
Zoltan A
ZA
Jones
Laurence
L
Hollinshead
Jackie
J
Jenkinson
Sarah F
SF
Fleet
George W J
GW
Nash
Robert J
RJ
D018360:Crystallography, X-Ray; D008968:Molecular Conformation; D011763:Pyrrolizidine Alkaloids / Q000737:chemistry*
D011763:Pyrrolizidine Alkaloids; C059794:australine