Xia Rong
Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 29;65(Pt 8):o2032. doi: 10.1107/S1600536809028451.
The asymmetric unit of the title compound, C(9)H(11)N(2)O(+)·H(2)PO(4) (-), is built up from a 2-(1-hydroxy-ethyl)benz-imid-a-zol-ium cation and a dihydrogen phosphate anion which are connected by an N-H⋯O hydrogen bond. The cation is roughly planar, the dihedral angle between the rings being only 1.4 (2)°. The S configuration is deduced from the synthetic pathway and supported by the refinement of the Flack parameter. Inter-molecular O-H⋯O and N-H⋯O hydrogen bonds build up a three-dimensionnal network.
标题化合物C(9)H(11)N(2)O(+)·H(2)PO(4) (-)的不对称单元由一个2-(1-羟乙基)苯并咪唑阳离子和一个磷酸二氢根阴离子组成,它们通过N-H⋯O氢键相连。阳离子大致呈平面状,环之间的二面角仅为1.4 (2)°。S构型由合成途径推导得出,并通过Flack参数的精修得到支持。分子间的O-H⋯O和N-H⋯O氢键形成了一个三维网络。