Shakuntala K, Foro Sabine, Gowda B Thimme
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1077. doi: 10.1107/S1600536811012463. Epub 2011 Apr 7.
The asymmetric unit of the title compound, C(6)H(6)Cl(2)N(+)·C(6)H(4)ClO(3)S(-)·H(2)O, contains two 2,4-dichloro-anilinium cations, two 4-chloro-phenyl-sulfonate anions and two water mol-ecules. The three H atoms of the positively charged NH(3) group have two O atoms of the negatively charged sulfonate anion and one O atom of the water mol-ecule as acceptors. Similarly, the two H atoms of the water mol-ecule have two O atoms of two different negatively charged sulfonate anions as acceptors. Further, one of the O atoms of the sulfonate anion is involved in simultaneous hydrogen bonds with two H atoms, one from the positively charged NH(3) group and the other from the water mol-ecule. In the crystal, mol-ecules are packed into a layer structure through N-H⋯O(S), N-H⋯O(H(2)O) and N-H⋯O(S)⋯H-O(H(2)O) (three-centre) hydrogen bonding, the chains running along the c axis.
标题化合物C(6)H(6)Cl(2)N(+)·C(6)H(4)ClO(3)S(-)·H(2)O的不对称单元包含两个2,4-二氯苯胺阳离子、两个4-氯苯磺酸根阴离子和两个水分子。带正电荷的NH(3)基团的三个H原子以带负电荷的磺酸根阴离子的两个O原子和水分子的一个O原子作为受体。同样，水分子的两个H原子以两个不同的带负电荷的磺酸根阴离子的两个O原子作为受体。此外，磺酸根阴离子的一个O原子参与了与两个H原子的同时氢键作用，一个H原子来自带正电荷的NH(3)基团，另一个来自水分子。在晶体中，分子通过N-H⋯O(S)、N-H⋯O(H(2)O)和N-H⋯O(S)⋯H-O(H(2)O)（三中心）氢键堆积成层状结构，链沿c轴延伸。
