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Crystal structure of N-(4-hydroxybenzyl)acetone thiosemicarbazone
The structure of the title compound, C(11)H(15)N(3)OS, shows the flexibility due to the methylene group at the thioamide N atom in the side chain, resulting in the molecule being non-planar. The dihedral angle between the plane of the benzene ring and that defined by the atoms of the thiosemicar...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588586/ https://www.ncbi.nlm.nih.gov/pubmed/28932480 http://dx.doi.org/10.1107/S2056989017012129 |
Sumario: | The structure of the title compound, C(11)H(15)N(3)OS, shows the flexibility due to the methylene group at the thioamide N atom in the side chain, resulting in the molecule being non-planar. The dihedral angle between the plane of the benzene ring and that defined by the atoms of the thiosemicarbazide arm is 79.847 (4)°. In the crystal, the donor–acceptor hydrogen-bond character of the –OH group dominates the intermolecular associations, acting as a donor in an O—H⋯S hydrogen bond, as well as being a double acceptor in a centrosymmetric cyclic bridging N—H⋯O,O′ interaction [graph set R (2) (2)(4)]. The result is a one-dimensional duplex chain structure, extending along [111]. The usual N—H⋯S hydrogen-bonding association common in thiosemicarbazone crystal structures is not observed. |
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