Abstract
Abstract The molecular and crystal structure of 2′(R)-mercapto-2′-deoxyneplanocin A, C11H13N5O2S M.W.=279.32, has been determined by X-ray analysis. The space group is P212121 with a=10.322(1), b=22.870(2), c=5.273(1)A and z=4. The structure was solved by direct method, and least-squares refinement using 1806 reflections with |Fo| > 30(F) led to the final R value of 0.045. The sugar C(2′) atom is displaced by 0.35A opposite to the base N(9), i.e., C(2′)-exo conformation and the torsion angle about the N(9)-C(1) bond is 26.3(4)° (anti conformation).
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