Miao Jinling, Nie Yong, Chen Hongwei, Li Jingtao, Wang Daqi
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 25;65(Pt 8):o2005. doi: 10.1107/S1600536809027391.
The title compound, C(11)H(10)N(2)O(4)·H(2)O, has a zwitterionic structure, in which the benzimidazole ring system is planar, with a maximum deviation of 0.007 (3) Å. The carbox-yl/carboxyl-ate groups adopt a trans configuration. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds involving the hydr-oxy/oxide O atoms link the mol-ecules into a one-dimensional chain. These chains are further linked by O-H⋯O hydrogen bonds involving the water mol-ecules into a two-dimensional network. π-π contacts between the benzimidazole rings [centroid-centroid distance = 3.5716 (4) Å] lead to the formation of a three-dimensional supra-molecular structure.
标题化合物C(11)H(10)N(2)O(4)·H(2)O具有两性离子结构，其中苯并咪唑环系呈平面状，最大偏差为0.007 (3) Å。羧基/羧酸盐基团呈反式构型。在晶体结构中，涉及羟基/氧化物O原子的分子间O-H⋯O氢键将分子连接成一维链。这些链通过涉及水分子的O-H⋯O氢键进一步连接成二维网络。苯并咪唑环之间的π-π接触[质心-质心距离 = 3.5716 (4) Å]导致形成三维超分子结构。
