The Structure of Neplanocin C |
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| Authors: | Kenji Kinoshita Satoshi Yaginuma Mitsuo Hayashi Kazumi Nakatsu |
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| Affiliation: | 1. Research Laboratories Toyo Jozo Co. Ltd., Mifuku, Ohito , Shizuoka, 410-23, Japan;2. Faculty of Sciences , Kwansei Gakuin University, Uegahara , Nishinomiya, Hyogo, 662, Japan |
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| Abstract: | Abstract The molecular and crystal structure of neplanocin C(3), C11H13N5O4 M.W. = 279.26, has been determined by X-ray anlys?s. The space group is P21 with a=16.381(2), b=8.210(1), c=9.127(1) Å, β=105.31(1)° and z=4. The structure was solved by direct method, and least-squares refinement using 2093 reflections with |Fo|>3σ(F) led to the final R value of 0.0772. The sugar puckering of the two crystal-lographically independent molecules is C(2′)-exo-C(3′)-endo, and the torsion angles about the N(9)-C(1′) bond are 22.8(6) and 28.7(6)°, respectively (anti conformation). |
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