van Blerk Charmaine, Kruger Gert J
University of Johannesburg, Department of Chemistry, P O Box 524, Auckland Park, Johannesburg 2006, South Africa.
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 8;65(Pt 5):o1008. doi: 10.1107/S1600536809012963.
The hexane-1,6-diammonium cation of the title compound, C(6)H(18)N(2) (2+)·2NO(3) (-), lies across a crystallographic inversion centre and shows significant deviation from planarity in the hydro-carbon chain. This is evident from the torsion angle of -64.0°(2) along the N-C-C-C bond and thse torsion angle of -67.1°(2) along the C-C-C-C bonds. An intricate three-dimensional hydrogen-bonding network exists in the crystal structure, with each H atom on the ammonium group exhibiting bifurcated inter-actions to the nitrate anion. Complex hydrogen-bonded ring and chain motifs are also evident, in particular a 26-membered ring with graph-set notation R(4) (4)(26) is observed.
标题化合物C(6)H(18)N(2) (2+)·2NO(3) (-)的己烷-1,6-二铵阳离子位于一个晶体学反演中心上，并且在烃链中显示出明显的非平面性。这从沿着N-C-C-C键的-64.0°(2)扭转角以及沿着C-C-C-C键的-67.1°(2)扭转角可以明显看出。晶体结构中存在一个复杂的三维氢键网络，铵基上的每个H原子都与硝酸根阴离子表现出分叉相互作用。复杂的氢键环和链基序也很明显，特别是观察到一个具有图式R(4) (4)(26)的26元环。
