Cukrowski Ignacy, Adeyinka Adedapo S, Liles David C
Department of Chemistry, University of Pretoria, Private Bag X20, Hatfield 0028, South Africa.
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2387. doi: 10.1107/S1600536812030127. Epub 2012 Jul 7.
The asymmetric unit of the title salt, C(6)H(20)N(4) (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.
标题盐C(6)H(20)N(4)(2+)·2I(-)的不对称单元包含半个3,6-二氮杂辛烷-1,8-二铵双阳离子和一个I(-)阴离子。双阳离子是对称的，位于晶体学反演中心上。在晶体中，离子形成一个主要涉及弱N-H⋯I分子间相互作用的网络：铵基的两个H原子与两个I(-)阴离子形成相互作用，仲胺的H原子与第三个I(-)阳离子形成弱相互作用。第三个铵基H原子与相邻阳离子的仲胺形成氢键。阳离子的主链不形成均匀的反式链，而是“扭结”的[C-N-C-C扭转角 = 71.5 (2)°]，这可能是为了适应铵基与相邻阳离子中的仲胺之间的直接氢键。
