Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 3 (March 2005)

organic compounds

bm1599 scheme

Acta Cryst. (2005). C61, o134-o137 [doi:10.1107/S0108270104034274]

Polymorphism in ammonium 2,4,6-trimethylbenzenesulfonate

S. M. Aucott, S. H. Dale, M. R. J. Elsegood, K. E. Holmes, L. M. Gilby and P. F. Kelly

Abstract: During investigations into sulfide- and selenide-amination reactions using the aminating agent o-mesitylsulfonylhydroxylamine, the monoclinic, (I), and orthorhombic, (II), polymorphs of ammonium 2,4,6-trimethylbenzenesulfonate, NH₄⁺·C₉H₁₁O₃S^-, have been crystallized. Investigation of the hydrogen-bonding motifs within the two polymorphs shows that both contain N⁺-HO^- hydrogen bonds between the ammonium cations and the 2,4,6-trimethylbenzenesulfonate anions. Polymorph (I) contains $R_{4}^{4}$ (12) and $R_{4}^{2}$ (8) graph-set ring motifs, while polymorph (II) contains the same $R_{4}^{4}$ (12) ring motif in combination with an $R_{4}^{3}$ (10) motif. The two hydrogen-bonding patterns result in slightly different packing structures for the two polymorphs, but both are based on a thick-sheet arrangement, in which the NH₄⁺ cations are enveloped between two layers of 2,4,6-trimethylbenzenesulfonate anions. In (I), the aromatic rings of the anions are approximately coplanar, giving parallel sheets, whereas in (II) the sheets are antiparallel and the anions pack in a herring-bone manner within the sheets, with angles of 78.76 (8)° between the planes of the aromatic rings.

Formula: Two polymorphs of NH₄⁺·C₉H₁₁O₃S^-


	Structure factor file (CIF format) (125.8 kbytes) Contains datablock I

	Structure factor file (CIF format) (95.0 kbytes) Contains datablock II

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