Kristallstruktur von 2,3,4-tri-O-acetyl-β-D- xylopyranosylchlorid |
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Authors: | Gabriele Kothe Peter Luger Hans Paulsen |
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Institution: | Institut für Kristallographie der Freien Universität Berlin, 1 Berlin 33 und Institut für Organische Chemie und Biochemie der Universität Hamburg, 2 Hamburg 13, Deutschland |
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Abstract: | Although 2,3,4-tri-O-acetyl-β-D-xylopyranosyl chloride is shown by n.m.r. data to be 80 percent in the 1C4 conformation in chloroform solution, it crystallizes in the normal 4C1 conformation as shown by a three-dimensional, X-ray structure analysis. The crystals are orthorhombic, space group P212121. The phase problem was solved by the heavy-atom method. The parameters were refined to an R-value of 0.039 for 1101 structure factors. With the chlorine atom being in equatorial position in the 4C1 conformation, the C-1O-6 bond is not shortened and the C-1Cl-1 bond is not lengthened. These results are in agreement with comparable values for cis-2,3-dichloro-1,4-dioxane. |
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