2'-DEOXYCYTIDINE-N(3)-CYANOBORANE MONOHYDRATE

Authors
SINGH P ZOTTOLA M HUANG SQ SHAW BR PEDERSEN LG
Citation
P. Singh et al., 2'-DEOXYCYTIDINE-N(3)-CYANOBORANE MONOHYDRATE, Acta crystallographica. Section C, Crystal structure communications, 52, 1996, pp. 693-696
Citations number
13
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section C, Crystal structure communications → ACNP
ISSN journal
01082701
Volume
52
Year of publication
1996
Part
3
Pages
693 - 696
Database
ISI
SICI code
0108-2701(1996)52:<693:2M>2.0.ZU;2-I
Abstract
The structure of the title compound, ofuranosyl)-2-oxo-1H-3-pyrimidini o]-(cyano)borate, C10H15BN4O4.H2O, features an interaction of 2.05 (4) Angstrom 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 at om being 2.24 Angstrom away from the plane. The cytosine rings are sta cked with almost complete overlap along the twofold screw axis with an interplanar separation of 4.03 Angstrom. The sugar is in the T-3(4) p uckering mode, the C(5')-O(5') bond has the gg conformation and the re lative orientation of the sugar and the base is anti.