Abstract
The asymmetric unit of the title salt, C6H20N4 2+·2I -, comprises half a 3,6-diaza-octane-1,8-diaminium dication plus an I- anion. The dications are symmetrical and lie across crystallographic centres of inversion. In the crystal, the ions form a network involving mainly weak N-H⋯I inter-molecular inter-actions: two H atoms of the ammonium group form inter-actions with two I- anions and the H atom of the secondary amine forms a weak inter-action with a third I- cation. The third ammonium H atom is hydrogen bonded to a secondary amine of an adjacent cation. The backbone of the cation does not form a uniformly trans chain, but is kinked [C-N-C-C torsion angle = 71.5 (2)°], probably to accommodate the direct hydrogen bond between the ammonium group and the secondary amine in an adjacent cation.
| Original language | English |
|---|---|
| Pages (from-to) | o2387 |
| Journal | Acta Crystallographica Section E: Structure Reports Online |
| Volume | 68 |
| Issue number | 8 |
| DOIs | |
| Publication status | Published - Aug 2012 |
| Externally published | Yes |
Keywords
- R factor = 0.023
- T = 180 K
- data-to-parameter ratio = 39.3
- mean σ(C-C) = 0.002 Å
- single-crystal X-ray study
- wR factor = 0.053
ASJC Scopus subject areas
- General Chemistry
- General Materials Science
- Condensed Matter Physics