2,6-Dimethoxy-7,9-dimethylpurinium iodide hemihydrate.

Acta Crystallogr C

Department of Organic Chemistry, The Medical University of Silesia, ul. Jagiellońska 4, 41-200 Sosnowiec, Poland.

Published: April 2008

In the title compound, C(9)H(13)N(4)O(2)(+) x I(-) x 0.5 H(2)O, the non-H atoms of the ionic components lie on a mirror plane in Cmca, with the O atom of the partial water molecule lying on a twofold rotation axis. Whereas one of the methoxy methyl groups is directed away from the adjacent N-methyl group, the other methoxy methyl group is directed towards its adjacent N-methyl group. The conformation of the methoxy methyl groups provides an explanation for the outcomes of intramolecular thermal rearrangements of 2,6-dialkoxy-7,9-dimethylpurinium salts.

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Source
http://dx.doi.org/10.1107/S0108270108005957DOI Listing

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