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Acta Crystallogr Sect E Struct Rep Online
; 66(Pt 4): o819, 2010 Mar 13.
Article
in English
| MEDLINE
| ID: mdl-21580650
ABSTRACT
In the title hydrated mol-ecular salt, 2C(7)H(8)NO(2) (+)·SO(4) (2-)·H(2)O, each cation in the asymmetric unit is stabilized by an intra-molecular N-Hâ¯O hydrogen bond. The O atoms of the sulfate ion are disordered over two sets of sites with an occupancy ratio of 0.541â (13):0.459â (13), which possibly optimizes the acceptance of N-Hâ¯O hydrogen bonds from the cations. The crystal structure also features aromatic π-π stacking [centroid-centroid separation = 3.842â (2)â Å] and a C-Hâ¯π inter-action.