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In the crystal structure of the title compound, C9H12N6O2.0.5H2O, a potential intermediate for the synthesis of peptidic nucleic acids (PNA's) containing 2,6-diaminopurine, the asymmetric unit contains two molecules, one ordered and the other with twofold positional disorder about a pivot point near the 6-amino group, together with one water molecule. The side chain emerges at N9 with C8-N9-C10-C11 torsion angles of 93.0 (2) and 50.8 (6)/-97.0 (6)°, respectively.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks gs5295050, global

sft

Structure factor file (SHELXL table format)
Supplementary material

CCDC reference: 129281

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