Rivera Augusto, Sadat-Bernal John, Ríos-Motta Jaime, Fejfarová Karla, Dušek Michal
Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o17. doi: 10.1107/S1600536811050781. Epub 2011 Dec 3.
In the title compound, C(13)H(27)N(4) (+)·I(-), the ethyl-ene bridge is distorted from the ideal D(2d) symmetry wherein an N-C-C-N planar bridge, around whose C-C bond the C-N and C-H bonds are exactly eclipsed, is disordered over two sites with equal occupancies. In both disorder components, the hexyl chain adopts an ideal all-trans conformation. In the crystal, adjacent ions are connected by C-H⋯I hydrogen bonds, forming ionic pairs that are further linked into chains along [101] via a second C-H⋯I inter-action.
在标题化合物C(13)H(27)N(4) (+)·I(-)中,乙烯桥偏离了理想的D(2d)对称性,其中一个N-C-C-N平面桥(围绕其C-C键,C-N键和C-H键恰好处于重叠构象)在两个占有率相等的位置上无序排列。在两个无序组分中,己基链均采用理想的全反式构象。在晶体中,相邻离子通过C-H⋯I氢键相连,形成离子对,这些离子对通过第二次C-H⋯I相互作用进一步沿[101]方向连接成链。