Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 1 (January 2003)

organic compounds

Acta Cryst. (2003). C59, o53-o56 [ doi:10.1107/S0108270102021960 ]

Three 2-aminopurine derivatives

D. E. Lynch and I. McClenaghan

Abstract: The structure of 2-amino-6-chloropurine, C₅H₄ClN₅, (I), comprises a flat molecule, with all possible strong hydrogen-bond donors and acceptors involved in the hydrogen-bonding network. The structures of 2-amino-6-(4-chlorophenylsulfanyl)purine hemihydrate, C₁₁H₈ClN₅S·0.5H₂O, (II), and 2-amino-6-(4-methylphenylsulfanyl)purine 0.33-hydrate, C₁₂H₁₁N₅S·0.33H₂O, (III), have two and three unique molecules, respectively, and one water molecule in their asymmetric units. Both (II) and (III) exhibit elaborate hydrogen-bonding networks that involve the S (for both) and Cl [for (II)] atoms in addition to the expected strong hydrogen-bonding sites. Both structures also have offset-stacking formations of the phenyl and purine rings.

Formula: C₅H₄ClN₅, C₁₁H₈ClN₅S·0.5H₂O and C₁₂H₁₁N₅S·0.33H₂O


	Structure factor file (CIF format) (75.8 kbytes) Contains datablock I

	Structure factor file (CIF format) (188.5 kbytes) Contains datablock II

	Structure factor file (CIF format) (419.1 kbytes) Contains datablock III

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