Khan Islam Ullah, Arshad Muhammad Nadeem, Akkurt Mehmet, Mustafa Ghulam, Shafiq Muhammad
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 25;65(Pt 8):m982. doi: 10.1107/S1600536809028505.
The asymmetric unit of the title compound, Na(C(13)H(9)BrNO(4)S)(H(2)O)(0.5), contains two Na(+) cations, two substituted benzoate anions and one water molecule of crystallization. The Na(+) cations are coordinated in an octa-hedral geometry by two carboxyl-ate O atoms, two sulfonyl O atoms and two water O atoms. The latter two ligands occupy trans positions. The polymeric network structure of the title complex is characterized by a layered assembly parallel to (001) and is further consolidated by N-H⋯O, O-H⋯O and C-H⋯O hydrogen-bonding inter-actions.
标题化合物[Na(C₁₃H₉BrNO₄S)(H₂O)₀.₅]ₙ的不对称单元包含两个Na⁺阳离子、两个取代苯甲酸根阴离子和一个结晶水分子。Na⁺阳离子通过两个羧酸根O原子、两个磺酰基O原子和两个水分子O原子以八面体几何构型配位。后两个配体占据反式位置。标题配合物的聚合物网络结构的特征是平行于(001)的层状组装,并通过N-H⋯O、O-H⋯O和C-H⋯O氢键相互作用进一步巩固。