Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)

organic compounds

Acta Cryst. (2013). E69, o727    [ doi:10.1107/S1600536813008805 ]

3-(4-Methyl­phen­yl)-4-[(thio­semi­carba­zono)meth­yl]-1,2,3-oxa­diazol-3-ium-5-olate 1,4-dioxane hemisolvate

M. Abdul Rahiman, G. N. Ravikumar, W.-S. Loh and I. A. Razak

Abstract: The asymmetric unit of the title compound, C11H11N5O2S·0.5C4H8O2, contains one 3-(p-tol­yl)sydnone 4-thio­semi­carba­zone mol­ecule and a half mol­ecule of 1,4-dioxane, which lies abount an inversion centre. The sydnone ring is almost planar, with a maximum deviation of 0.002 (1) Å, and forms a dihedral angle of 46.31 (5)° with the benzene ring. In the crystal, the two components are linked into a tape along [01-1] by N-H...O and N-H...S hydrogen bonds. The crystal structure is further stabilized by C-H...O and C-H...[pi] inter­actions, forming a three-dimensional network.

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