SYN CONFORMATION
Syn-Guanosine
χ −58.06°
CRYSTAL CONFORMER
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STRUCTURAL CHEMISTRY
3D Structures of Syn and Anti Guanosine Conformations
Interactive molecular visualization and conformational comparison
FORMULA
C10H13N5O5
ANTI CONFORMATION
Anti-Guanosine
χ −137.18°
CRYSTAL CONFORMER
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Glycosidic torsion, χ describes rotation about the N9–C1′ bond, measured here as O4′–C1′–N9–C4. Both values were calculated from the displayed crystal coordinates.
C
N
O
H
Coordinate source and method
The heavy-atom and hydrogen coordinates come from the two independent guanosine molecules in the asymmetric unit of the experimentally determined guanosine dihydrate crystal structure. The deposited CIF is COD 5000020, based on Thewalt, Bugg & Marsh, Acta Crystallographica Section B 26 (1970), 1089–1101. The crystal includes water molecules; these were omitted from the isolated guanosine views.
Fractional coordinates were converted to Cartesian coordinates with the reported unit cell. A rigid-body rotation and translation place both purine planes in a comparable starting view without changing internal geometry; no geometry optimization was performed. The χ angles were recalculated from O4′–C1′–N9–C4 for the displayed coordinates and agree with the published anti (−137.1°) and syn (−58.0°) assignments. The views show crystal conformers; they do not imply a preferred isolated-molecule conformation in solution.