2-Amino-5-methyl-10bH-1,3,4-thiadiazolo[3,2-c]quinazolin-6-ium-10b-carboxylate Hydrate

The C₁₁H₁₀N₄O₂S molecule in the title compound, C₁₁H₁₀N₄O₂S.H₂O, is a new heterocycle. It comprises three fused rings and exists in a zwitterionic form. The two six-membered rings are approximately coplanar, but the presence of a saturated Csp³ atom at the junction of the five-membered and central six-membered rings imposes a marked non-coplanarity on these, with a dihedral angle of 23.1 (2)°. The molecule is thus chiral and the crystal structure is a racemate incorporating two molecules of water for each R/S pair of molecules. There is an extensive hydrogen-bonding network.

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