Tris(1,9-diethyl­adeninium) triiodide diiodide

Tris(1,9-diethyl­adeninium) triiodide diiodide

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 ea...

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Veröffentlicht in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2006-09, Vol.62 (9), p.o571-o573
Hauptverfasser: Day, Elizabeth F., Dean, Norman S., Franz, Andreas H.
Format: Artikel
Sprache:eng
Schlagworte:
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
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Zusammenfassung: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.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270106029532