2′-Deoxycytidine-N(3)-cyanoborane monohydrate

Journal Article (Journal Article)

The structure of the title compound, [4-amino-1-(2-deoxy-β-D-ribofuranosyl)-2-oxo-1H-3-pyrimidinio]-(cyano) borate, C10H15BN4O4.H2O, features an interaction of 2.05 (4) Å between an H atom of the -BH2CN group and an H atom of the -NH2 group. The -C≡N group does not lie in the cytosine plane, the N atom being 2.24 Å away from the plane. The cytosine rings are stacked with almost complete overlap along the twofold screw axis with an interplanar separation of 4.03 Å. The sugar is in the 43T puckering mode, the C(5′)-O(5′) bond has the gg conformation and the relative orientation of the sugar and the base is anti.

Full Text

Duke Authors

Cited Authors

  • Singh, P; Zottola, M; Huang, S; Shaw, BR; Pedersen, LG

Published Date

  • March 15, 1996

Published In

Volume / Issue

  • 52 / 3

Start / End Page

  • 693 - 696

International Standard Serial Number (ISSN)

  • 0108-2701

Digital Object Identifier (DOI)

  • 10.1107/S0108270195013412

Citation Source

  • Scopus