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3-Hydr­oxy-4-methoxy­benzaldehyde thio­semicarbazone hemihydrate

The asymmetric unit of the title compound, C(9)H(11)N(3)O(2)S·0.5H(2)O, 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 fi...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Kia, Reza, D’Silva, E. Deepak, Patil, P. S., Dharmaprakash, S. M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959916/
https://www.ncbi.nlm.nih.gov/pubmed/21581255
http://dx.doi.org/10.1107/S1600536808035617
Descripción
Sumario:The asymmetric unit of the title compound, C(9)H(11)N(3)O(2)S·0.5H(2)O, 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.