Cai Ying
Ordered Matter Science Research Center, Southeast University, Nanjing 211189, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 5;66(Pt 7):o1527. doi: 10.1107/S1600536810019926.
In the crystal structure of the title compound, C(8)H(14)N(3) (+)·Br(-)·2H(2)O, inter-molecular O-H⋯O and O-H⋯Br hydrogen bonding occurs. The water mol-ecules are connected into chains extending in the a-axis direction. The bromide anions are connected to the water mol-ecules, forming 10-membered rings. The cations are connected to the anions via weak C-H⋯Br inter-actions. Two carbon atoms of the cation are disordered and were refined using a split model (occupancy ratio 0.70:0.3).
在标题化合物C(8)H(14)N(3) (+)·Br(-)·2H(2)O的晶体结构中，存在分子间O-H⋯O和O-H⋯Br氢键。水分子连接成沿a轴方向延伸的链。溴离子与水分子相连，形成十元环。阳离子通过弱的C-H⋯Br相互作用与阴离子相连。阳离子的两个碳原子无序，采用分裂模型（占有率0.70:0.3）进行精修。
