Bis(2-carboxyanilinium) sulfate monohydrate

In the title hydrated molecular salt, 2C7H8NO2 +·SO4 2−·H2O, each cation in the asymmetric unit is stabilized by an intramolecular N—H⋯O hydrogen bond. The O atoms of the sulfate ion are disordered over two sets of sites with an occupancy ratio of 0.541 (13):0.459 (13), which possibly optimizes the acceptance of N—H⋯O hydrogen bonds from the cations. The crystal structure also features aromatic π–π stacking [centroid–centroid separation = 3.842 (2) Å] and a C—H⋯π interaction.

[1]  良二 上田 J. Appl. Cryst.の発刊に際して , 1970 .

[2]  A. A. Refaat,et al.  Different techniques for the production of biodiesel from waste vegetable oil , 2010 .

[3]  G. G. Stokes "J." , 1890, The New Yale Book of Quotations.

[4]  G. Sheldrick A short history of SHELX. , 2008, Acta crystallographica. Section A, Foundations of crystallography.

[5]  Anthony L. Spek,et al.  Structure validation in chemical crystallography , 2009, Acta crystallographica. Section D, Biological crystallography.

[6]  Louis J. Farrugia,et al.  WinGX suite for small-molecule single-crystal crystallography , 1999 .

[7]  Louis J. Farrugia,et al.  ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI) , 1997 .