4-[3-(Phenoxymethyl)-7 H -1,2,4-triazolo[3,4- b ][1,3,4]thiadiazin-6-yl]-3-( p -tolyl)sydnone

• Published in: Acta crystallographica. Section E, Structure reports online Vol. 66; no. 8; pp. o2178 - o2179
• Main Authors: Goh, Jia Hao, Fun, Hoong-Kun, Nithinchandra, Kalluraya, B.
• Format: Journal Article
• Language: English
• Published: International Union of Crystallography 01-08-2010
• ISSN: 1600-5368; 1600-5368
• DOI: 10.1107/S1600536810029910

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.