Hydrogen bond studies. LIII. The crystal structure of 2,5-dichlorobenzenesulphonic acid trihydrate, H7O3+C6H3Cl2SO3−

J.-O. Lundgren, P. Lundin
1972 Acta Crystallographica Section B  
The crystal structure of 2,5-dichlorobenzenesulphonic acid trihydrate has been determined from threedimensional single-crystal X-ray diffraction data recorded on a Stoe-Philips two-circle Weissenberg diffractometer at room temperature. The crystals are monoclinic, space group P21/c, with four formula units in a cell of dimensions a=7"350, b=23.516, c=6.862 ,&, /~= 100"68L The structure comprises oxonium ions tightly bonded to two water molecules to form HTO + ions. Very large anisotropy in the
more » ... hermal parameters of the oxygen atoms indicates some form of disorder, which makes the determination of the geometry of the H7 O+ ion less precise. O-H. • .O distances in the ion, as obtained from leastsquares refinements using an ordered model, are 2.37 (1) and 2.42 (1) A. The H7 O+ ions and 2,5-dichlorobenzenesulphonate ions are hydrogen bonded together to form layers. No hydrogen bonds exist between individual H7 O+ ions.
doi:10.1107/s0567740872002626 fatcat:f6kemnjyqzaklcasbwcuywfmfa