Tris(1,9-diethyl­adeninium) triiodide diiodide

• Published in: Acta crystallographica. Section C, Crystal structure communications Vol. 62; no. 9; pp. o571 - o573
• Main Authors: Day, Elizabeth F., Dean, Norman S., Franz, Andreas H.
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England Blackwell Publishing Ltd 01.09.2006; Blackwell; Wiley Subscription Services, Inc
• Subjects: Adenine - analogs & derivatives; Adenine - chemistry; Condensed matter: structure, mechanical and thermal properties; Crystal structure; Crystalline state (including molecular motions in solids); Crystallography; Exact sciences and technology; Hydrogen Bonding; Hydrogen bonds; Iodides - chemistry; Molecular Structure; Organic chemicals; Physics; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; Theory of crystal structure, crystal symmetry; calculations and modeling; Unit cell; XRD; Crystal symmetry; Bond lengths; Bond angle; Crystal structure
• ISSN: 0108-2701; 1600-5759
• DOI: 10.1107/S0108270106029532

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.