3-Hydroxy-4-methoxybenzaldehyde thiosemicarbazone hemihydrate

Hoong-Kun Fun,E Deepak D'Silva,Reza Kia,P S Patil,S M Dharmaprakash

doi:10.1107/s1600536808035617

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—H⋯O and N—H⋯N hydrogen bonds form five-membered rings, producing S(5) ring motifs. Intermolecular O—H⋯S and N—H⋯O interactions between molecule B and the water molecule form a six-membered ring, producing an R 2 2(6) ring motif. Intermolecular N—H⋯S hydrogen bonds form dimers involving pairs of both A and B molecules, which form R 2 2(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—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.

Highlights

The asymmetric unit of the title compound, C9H11N3O2SÁ0.5H2O, comprises two crystallograpically independent thiosemicarbazone molecules (A and B) and a water molecule of crystallization
The crystal structure is stabilized by intermolecular O—HÁ Á ÁS (Â2), O—HÁ Á ÁO, N—HÁ Á ÁS (Â2) and N—HÁ Á ÁO (Â2) hydrogen bonds and C—HÁ Á ÁO (Â2) contacts to form a three-dimensional network
Symmetry codes: (i) −x+1, −y+1, −z; (ii) −x+2, −y+1, −z; (iii) −x+1, −y, −z+1; (iv) −x+1, −y+1, −z+1; (v) x−1, y−1, z; (vi) x, y−1, z; (vii) −x, −y, −z

Summary

Data collection

The asymmetric unit of the title compound, C9H11N3O2SÁ0.5H2O, comprises two crystallograpically independent thiosemicarbazone molecules (A and B) and a water molecule of crystallization. In each of the thiosemicarbazone molecules, intramolecular O—HÁ Á ÁO and N—HÁ Á ÁN hydrogen bonds form five-membered rings, producing S(5) ring motifs. Intermolecular O—HÁ Á ÁS and N—HÁ Á ÁO interactions between molecule B and the water molecule form a six-membered ring, producing an R22(6) ring motif. Intermolecular N—HÁ Á ÁS hydrogen bonds form dimers involving pairs of both A and B molecules, which form R22(8) ring motifs. The crystal structure is stabilized by intermolecular O—HÁ Á ÁS (Â2), O—HÁ Á ÁO, N—HÁ Á ÁS (Â2) and N—HÁ Á ÁO (Â2) hydrogen bonds and C—HÁ Á ÁO (Â2) contacts to form a three-dimensional network

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