The title compound, C16H13NOS, was prepared by alkyl­ation of 1-(benzothia­zol-2-yl)propan-2-one with propargyl bromide. The asymmetric unit contains two mol­ecules that are crystallographically independent but linked to each other by non-classical C—H⋯O hydrogen bonds, building up a dimeric substructure. The benzothia­zole rings are essentially planar with maximum deviations of 0.005 (1) and 0.007 (2) Å for the N atoms. Although the two mol­ecules have similar bond distances and angles, they slightly differ in the orientation of the benzothia­zole ring with respect to the two propargyl groups and the acetonyl unit . In the crystal, inter­molecular C—H⋯O inter­actions link the dimeric subunits into a two-dimensional array in the bc plane.

Key indicatorsSingle-crystal X-ray study T = 296 K Mean (C-C) = 0.003 Å R factor = 0.042 wR factor = 0.118 Data-to-parameter ratio = 17.4For details of how these key indicators were automatically derived from the article, see

The crystal structure of the title compound, C12H13NO3S, is stabilized by inter­molecular N—H⋯O hydrogen bonds, which are formed between the NH groups and the sulfoxide O atoms.

Key indicatorsSingle-crystal X-ray study T = 296 K Mean (C-C) = 0.004 Å R factor = 0.040 wR factor = 0.109 Data-to-parameter ratio = 18.0 For details of how these key indicators were automatically derived from the article, see

The organic molecule in the title hydrate, C12H13NO3S·H2O, is folded across the S...N vector. Chains two molecules thick extending along the a-axis direction are formed by N—H...O and O—H...O hydrogen bonds. These interactions are reinforced by C—H...S hydrogen bonds and offset π-stacking interactions between centrosymmetrically related benzene rings. The chains are associated through C—H...O hydrogen bonds.