Document Type

Article

Publication Title

Acta Crystallographica, Section C: Crystal Structure Communications

Department

Chemistry

ISSN

0108-2701

Volume

C62

Issue

9

DOI

10.1107/S0108270106029532

First Page

o571

Last Page

o573

Publication Date

9-1-2006

Abstract

X-ray analysis of the title compound reveals three crystallographically distinct cations of 1,9-diethyl­adeninium, two iodide anions and one triiodide anion in the asymmetric unit, giving six residues and the formula 3C9H14N5+·I3-·2I-. Standard purine nomenclature is used to identify the atoms of each adenine moiety. Hydrogen bonding is observed between atoms N6 and N7 of a pair of cations [N...N = 2.885 (4)/2.902 (3) and 2.854 (3)/2.854 (3) Å], with additional hydrogen bonding to I- anions via the other N6 H atom [N...I = 3.708 (3), 3.738 (3) and 3.638 (3) Å]. The triiodide anion is not involved in hydrogen bonding. The bond lengths and angles of the 1,9-diethyl­adeninium cations are compared with literature values and confirm the formation of the imine tautomer.

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