Lian Hong-Lei, Pan Wei-Cheng
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 30;66(Pt 10):o2656. doi: 10.1107/S1600536810037748.
In the crystal structure of the title salt, C(22)H(21)N(2)O(6) (+)·Br(-)·2H(2)O, pairs of betaine mol-ecules are bridged by protons (the bridging proton is disordered), forming strong and symmetrical O-H⋯O hydrogen bonds, leading to an infinite chain along the b axis. The water mol-ecules are linked to the betaine mol-ecule and the bromide ion through O-H⋯O and O-H⋯Br inter-actions. The central ring, located on an inversion centre, makes dihedral angles of 1.2 (2)° with the outer rings. One of the carboxylic acid groups is deprotonated.
在标题盐C(22)H(21)N(2)O(6) (+)·Br(-)·2H(2)O的晶体结构中，甜菜碱分子对通过质子桥连（桥连质子无序），形成强且对称的O-H⋯O氢键，沿b轴形成无限链。水分子通过O-H⋯O和O-H⋯Br相互作用与甜菜碱分子和溴离子相连。位于对称中心的中心环与外环的二面角为1.2 (2)°。其中一个羧酸基团去质子化。
