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N,3'-cyclo-5'-O-Cyano-methyl-thymidine.

ABSTRACT: The title compound, C(19)H(20)N(4)O(4), is a cyclo-nucleoside with a C-N linkage. The furan-ose ring adopts a twist C3'-endo/C2'-exo (close to (3)T(2)) conformation with a pseudorotational phase angle (P) of 8.1° and puckering amplitude (v(m)) of 30.6°. The orientation of the pyrimidine ring with respect to the sugar group is anti. One intra-molecular C-H?O hydrogen bond is observed. The packing features an N-H?O hydrogen bond.

SUBMITTER: Sun J

PROVIDER: S-EPMC2979450 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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N,3'-cyclo-5'-O-Cyano-methyl-thymidine.

Sun Jingbo J Yang Kun K Duan Ronghui R Wu Jinchang J

Acta crystallographica. Section E, Structure reports online 20100529 Pt 6

The title compound, C(19)H(20)N(4)O(4), is a cyclo-nucleoside with a C-N linkage. The furan-ose ring adopts a twist C3'-endo/C2'-exo (close to (3)T(2)) conformation with a pseudorotational phase angle (P) of 8.1° and puckering amplitude (v(m)) of 30.6°. The orientation of the pyrimidine ring with respect to the sugar group is anti. One intra-molecular C-H⋯O hydrogen bond is observed. The packing features an N-H⋯O hydrogen bond. ...[more]

PMID: 21579571

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