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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.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks text, cf1099a

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Supplementary material

CCDC reference: 128491

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