Neal Henry C, Nesterov Volodymyr V, Smucker Bradley W
Austin College, 900 N Grand, Sherman, TX 75090, USA.
Department of Chemistry, University of North Texas, 1508 W. Mulberry, Denton, TX, 76201, USA.
IUCrdata. 2022 May 20;7(Pt 5):x220525. doi: 10.1107/S2414314622005259. eCollection 2022 May.
The chevron-shaped cations of the title hydrated salt, CHN ·2Br·2HO, are arranged in back-to-back alternating directions to form a zigzag ribbon propagating along the [010] direction. Inter-molecular inter-actions comprising these ribbons are π-π inter-actions between the pyridinium and adjacent pyridyl rings, as well as O-H⋯O hydrogen bonding between water molecules and two adjacent pyridyl N atoms. Half of the cation is generated by the mirror plane. The water O atoms, the central C atom and one Br atom are located on this mirror plane while the other Br atom is on a twofold screw axis.
标题水合盐CHN·2Br·2HO的人字形阳离子以背靠背交替的方向排列，形成沿[010]方向传播的锯齿形带。构成这些带的分子间相互作用是吡啶鎓与相邻吡啶环之间的π-π相互作用，以及水分子与两个相邻吡啶N原子之间的O-H⋯O氢键。阳离子的一半由镜面产生。水O原子、中心C原子和一个Br原子位于该镜面上，而另一个Br原子位于二重螺旋轴上。
