3-Phenyl-4-{3-[(p-tolyloxy)methyl]-7H-1,2,4-triazolo[3,4-b][1,3,4] thiadiazin-6-yl}sydnone

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Abstract

In the title compound (systematic name: 3-phenyl-4-{3-[(p-tolyloxy)methyl]- 7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl}-1,2,3-oxadiazol-3-ium-5-olate), C20H16N6O3S, an intra-molecular C - H⋯O hydrogen bond generates an S(6) ring motif. The 3,6-dihydro-1,3,4- thiadiazine ring adopts a twist-boat conformation. The 1,2,3-oxadiazole and 1,2,4-triazole rings are inclined to each other at an inter-planar angle of 44.13 (13)°. The phenyl ring makes an inter-planar angle of 67.40 (13)° with the attached 1,2,3-oxadiazole ring. In the crystal structure, adjacent mol-ecules are inter-connected into two-mol-ecule-thick arrays parallel to (100) via C - H⋯O and C - H⋯N hydrogen bonds. A short S⋯O contact [2.9512 (18) Å] is observed.

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Goh, J. H., Fun, H. K., Nithinchandra, & Kalluraya, B. (2010). 3-Phenyl-4-{3-[(p-tolyloxy)methyl]-7H-1,2,4-triazolo[3,4-b][1,3,4] thiadiazin-6-yl}sydnone. Acta Crystallographica Section E: Structure Reports Online, 66(8). https://doi.org/10.1107/S160053681002982X

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