The title compound, C(22)H(25)F(5)N(4)O(9), is a stable penta-fluoro-phenyl ester inter-mediate in the synthesis of novel homo-oligomeric structures containing branched carbon chains. The structure is epimeric to the previously characterized dimeric penta-fluoro-phenyl ester with stereochemistry (3R,4R,5R), which was synthesized using d-ribose as starting material. The crystal structure of the title mol-ecule removes any ambiguities arising from the relative stereochemistries of the six chiral centres. Two hydrogen bonds, bifurcating from the NH group, stabilize the crystal: one intra-molecular and one inter-molecular, both involving O atoms of the meth-oxy groups. The asymmetric unit contains two independent mol-ecules not related by any pseudo-symmetry operators. The major conformational differences are localized, leading to one mol-ecule being extended compared to the other. The collected crystal was twinned (twin ratio is 0.939:0.061), and the azide group is positionally disordered over two positions in one mol-ecule [occupancy ratio 0.511â (18):0.489â (18)].
Penta-fluoro-phenyl (3R,4R,5S)-5-{[(3R,4R,5S)-5-azido-methyl-3,4-dimeth-oxy-2,3,4,5-tetra-hydro-furan-3-carboxamido]-meth-yl}-3,4-dimeth-oxy-2,3,4,5-tetra-hydro-furan-3-carboxyl-ate.
五氟苯基 (3R,4R,5S)-5-{[(3R,4R,5S)-5-叠氮甲基-3,4-二甲氧基-2,3,4,5-四氢呋喃-3-甲酰胺基]-甲基}-3,4-二甲氧基-2,3,4,5-四氢呋喃-3-羧酸酯
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作者:Simone Michela I, Edwards Alison A, Parker Samuel G, Tranter George E, Fleet George W J, Watkin David J
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2010 | 起止号: | 2010 Oct 2; 66(Pt 11):o2699-700 |
| doi: | 10.1107/S1600536810038559 | ||
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