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The crystal structure of the cytidine analogue, (±)-6,6′-anhydro-2′-deoxy-6,6′β-dihydroxycarbacytidine hydrate, (alternative name: 3-amino-7-hydroxy-6-hydroxymethyl-6,7,8,8a-tetrahydro- 1H,5aH-cyclopenta­[1′,2′:1,2]oxazolo[3,2-c]pyrimidin-1-one hydrate) C10H13N3O4·H2O, in which the glycosyl torsion angle was fixed by cyclization between the C6′ atom of the cyclopentane ring and the C6 atom of the cytosine base with one O atom, was determined by X-ray analysis. The crystal belongs to the monoclinic space group P21/c and the unit cell contains four cytidine analogue and four water molecules. The terminal O5′ atom of the cytidine analogue molecule is hydrogen bonded to a water molecule. The glycosyl torsion angle is low-anti (χ = 176.3°) and the puckering of the cyclopentane ring is C3′-envelope.

Supporting information


Crystallographic Information File (CIF)
Contains datablocks ohishi, structure


Structure factor file (CIF format)
Contains datablock ohishi

CCDC reference: 130167

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