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The crystal structure of 1-(2-hydroxy-5-methoxyphenyl)ethanone 4,4-dimethylthiosemicarbazone
The asymmetric unit of the title compound, C(12)H(17)N(3)O(2)S, contains two independent molecules, A and B. Both molecules are nearly planar with the dihedral angle between the mean planes of the thioamide group and benzene ring being 7.5 (1)° in A and 4.3 (2)° in B. In each molecule, the hydr...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645029/ https://www.ncbi.nlm.nih.gov/pubmed/26594539 http://dx.doi.org/10.1107/S2056989015018228 |
Sumario: | The asymmetric unit of the title compound, C(12)H(17)N(3)O(2)S, contains two independent molecules, A and B. Both molecules are nearly planar with the dihedral angle between the mean planes of the thioamide group and benzene ring being 7.5 (1)° in A and 4.3 (2)° in B. In each molecule, the hydroxy group participates in intramolecular O—H⋯N hydrogen bonding, while the amino H atom is not involved in hydrogen bonding because of the steric hinderence caused by two neighboring methyl groups. In the crystal, the individual molecules are linked by weak C—H⋯O hydrogen bonds, forming A–A and B–B inversion dimers. The dimers are linked via C—H⋯π interactions which help stabilize the packing. |
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