Acta Crystallographica, Section C: Crystal Structure Communications 2011-12-01

Two tautomeric polymorphs of 2,6-dichloropurine.

M Eugenia García-Rubiño, Duane Choquesillo-Lazarte, M C Núñez, Joaquín M Campos

Index: Acta Crystallogr. C 67(Pt 12) , o484-6, (2011)

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Abstract

Two polymorphs of 2,6-dichloropurine, C(5)H(2)Cl(2)N(4), have been crystallized and identified as the 9H- and 7H-tautomers. Despite differences in the space group and number of symmetry-independent molecules, they exhibit similar hydrogen-bonding motifs. Both crystal structures are stabilized by intermolecular N-H···N interactions that link adjacent molecules into linear chains, and by some nonbonding contacts of the C-Cl···π type and by π-π stacking interactions, giving rise to a crossed two-dimensional herringbone packing motif. The main structural difference between the two polymorphs is the different role of the molecules in the π-π stacking interactions.© 2011 International Union of Crystallography