Crystal structure of a nucleoside model for the inter-strand cross-link formed by the reaction of 2'-de-oxy-guanosine and an abasic site in duplex DNA.
The title compound, 9-[(2R,4S,5R)-4-hy-droxy-5-(hy-droxy-meth-yl)tetra-hydro-furan-2-yl]-2-{[(2R,4S,5R)-4-meth-oxy-5-(meth-oxy-meth-yl)tetra-hydro-furan-2-yl]amino}-1H-purin-6(9H)-one, C17H25N5O7, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In the crystal, the guanosine moieties of mol-ecules A and B are linked by N-H⋯N and O-H⋯N hydrogen-bonding inter-actions, forming ribbons which are stacked to form columns along [100]. These columns are then linked by O-H⋯O hydrogen bonds between the ribose moieties and numerous C-H⋯O inter-actions to complete the three-dimensional structure.
125 Chemistry Bldg, University of Missouri-Columbia, MO 65211, USA.
Michael J
MJ
Catalano
125 Chemistry Bldg, University of Missouri-Columbia, MO 65211, USA.
Kasi Viswanatharaju
KV
Ruddraraju
125 Chemistry Bldg, University of Missouri-Columbia, MO 65211, USA.
Charles L
CL
Barnes
125 Chemistry Bldg, University of Missouri-Columbia, MO 65211, USA.
Kent S
KS
Gates
2′-de­oxy­guanosine; crystal structure; de­oxy-d-ribo­furan­ose; glycosidic linkage; hydrogen bonding; nucleobase; purine-6(9H)-one