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4-Nitro-benzoic acid-sulfa-thia-zole (1/1).

ABSTRACT: In the crystal structure of the title compound, C7H5NO4·C9H9N3O2S2, the sulfa-thia-zole and 4-nitro-benzoic acid mol-ecules are held together by short ?-? contacts between the thia-zole and nitro-benzene rings, with a centroid-centroid distance of 3.8226?(7)?Å. The sulfa-thia-zole mol-ecules form dimers via N-H?N hydrogen bonds involving the thia-zole 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 mol-ecules 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??(sulfa-thia-zole benzene ring) inter-actions.

SUBMITTER: Oruganti M

PROVIDER: S-EPMC3914109 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature

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4-Nitro-benzoic acid-sulfa-thia-zole (1/1).

Oruganti Madhavi M Trivedi Darshak R DR

Acta crystallographica. Section E, Structure reports online 20131221 Pt 1

In the crystal structure of the title compound, C7H5NO4·C9H9N3O2S2, the sulfa-thia-zole and 4-nitro-benzoic acid mol-ecules are held together by short π-π contacts between the thia-zole and nitro-benzene rings, with a centroid-centroid distance of 3.8226 (7) Å. The sulfa-thia-zole mol-ecules form dimers via N-H⋯N hydrogen bonds involving the thia-zole and sulfonamide moieties, owing to the fact that sulfathizole exhibits amide-imide tautomerism. The N-H (amine) groups of two sulfathiazole molecu ...[more]

PMID: 24527015

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