Acta Cryst. (2008). E64, o2274-o2275  [ doi:10.1107/S1600536808035617 ]

3-Hydroxy-4-methoxybenzaldehyde thiosemicarbazone hemihydrate

H.-K. Fun, R. Kia, E. D. D'Silva, P. S. Patil and S. M. Dharmaprakash

Abstract: The asymmetric unit of the title compound, C₉H₁₁N₃O₂S·0.5H₂O, comprises two crystallograpically independent thiosemicarbazone molecules (A and B) and a water molecule of crystallization. In each of the thiosemicarbazone molecules, intramolecular O-HO and N-HN hydrogen bonds form five-membered rings, producing S(5) ring motifs. Intermolecular O-HS and N-HO interactions between molecule B and the water molecule form a six-membered ring, producing an R₂²(6) ring motif. Intermolecular N-HS hydrogen bonds form dimers involving pairs of both A and B molecules, which form R₂²(8) ring motifs. The angles between the aromatic ring and thiourea unit in the two molecules are 0.80 (6) and 3.28 (5)°, which proves that each molecule is fairly planar. The crystal structure is stabilized by intermolecular O-HS (×2), O-HO, N-HS (×2) and N-HO (×2) hydrogen bonds and C-HO (×2) contacts to form a three-dimensional network.

Online 8 November 2008

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