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Acta Cryst. (2010). E66, o2178-o2179  [ doi:10.1107/S1600536810029910 ]


J. H. Goh, H.-K. Fun, Nithinchandra and B. Kalluraya

Abstract: In the title triazolothiadiazine derivative, C20H16N6O3S {systematic name: 3-(4-methylphenyl)-4-[3-(phenoxymethyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-1,2,3-oxadiazol-3-ium-5-olate}, an S(6) ring motif is generated by an intramolecular C-H...O hydrogen bond. The 3,6-dihydro-1,3,4-thiadiazine ring adopts a twist-boat conformation. The dihedral angle between the 1,2,3-oxadiazole and 1,2,4-triazole rings is 46.45 (14)°. The 1,2,3-oxadiazole ring is inclined at dihedral angle of 59.49 (13)° with respect to the benzene ring attached to it. In the crystal structure, intermolecular C-H...O and C-H...N hydrogen bonds link neighbouring molecules into two-molecule-thick arrays parallel to the bc plane. A short S...O interaction [2.9565 (19) Å] also occurs.

Online 31 July 2010

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