Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 1 (January 2014)

organic compounds

ds2237 scheme

Acta Cryst. (2014). E70, o85-o86    [ doi:10.1107/S1600536813034004 ]

4-Nitro­benzoic acid-sulfa­thia­zole (1/1)

M. Oruganti and D. R. Trivedi

Abstract: In the crystal structure of the title compound, C7H5NO4·C9H9N3O2S2, the sulfa­thia­zole and 4-nitro­benzoic acid mol­ecules are held together by short [pi]-[pi] contacts between the thia­zole and nitro­benzene rings, with a centroid-centroid distance of 3.8226 (7) Å. The sulfa­thia­zole mol­ecules form dimers via N-H...N hydrogen bonds involving the thia­zole and sulfonamide moieties, owing to the fact that sulfathizole exhibits amide-imide tautomerism. The N-H (amine) groups of two sulfathiazole molecules are linked to the two S=O groups of a sulfathiazole via N-H...O hydrogen bonds. Two mol­ecules of coformer are held together by O-H...O hydrogen bonds. These units self-assemble, forming a three-dimensional network stabilized by (acid)C-H...[pi](sulfa­thia­zole benzene ring) inter­actions.

CCDC reference: 970540

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