3-Hydr-oxy-4-methoxy-benzaldehyde thio-semicarbazone hemihydrate

Abstract

The asymmetric unit of the title compound, C9H11N3O2S·0.5H2O, comprises two crystallograpically independent thio-semicarbazone mol-ecules (A and B) and a water mol-ecule of crystallization. In each of the thio-semicarbazone mol-ecules, intra-molecular O - H⋯O and N - H⋯N hydrogen bonds form five-membered rings, producing S(5) ring motifs. Inter-molecular O - H⋯S and N - H⋯O inter-actions between mol-ecule B and the water mol-ecule form a six-membered ring, producing an R 2 κ2(6) ring motif. Inter-molecular N - H⋯S hydrogen bonds form dimers involving pairs of both A and B mol-ecules, which form R 2 κ2(8) ring motifs. The angles between the aromatic ring and thio-urea unit in the two mol-ecules are 0.80 (6) and 3.28 (5)°, which proves that each mol-ecule is fairly planar. The crystal structure is stabilized by inter-molecular O - H⋯S (2), O - H⋯O, N - H⋯S (2) and N - H⋯O (2) hydrogen bonds and C - H⋯O (2) contacts to form a three-dimensional network. © 2008.