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The title compound, C12H11N3O2S.H2O, is a practically planar organic hyperpolarizable molecule. The noncentrosymmetric packing of its monohydrate crystals and relationships to non-linear optical properties are discussed.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks dan1, global

fcf

Structure factor file (CIF format)
Contains datablock dan1w

CCDC reference: 128692

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