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3-Acetyl-1-(3-methylphenyl)thiourea
In the crystal structure of the title compound, C(10)H(12)N(2)OS, the conformation of the two N—H bonds are anti to each other. The amide C=O and the C=S are are also anti to each other. The N—H bond adjacent to the benzene ring is syn to the m-methyl groups. The dihedral angle between the benzene r...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3415014/ https://www.ncbi.nlm.nih.gov/pubmed/22905001 http://dx.doi.org/10.1107/S1600536812032825 |
Sumario: | In the crystal structure of the title compound, C(10)H(12)N(2)OS, the conformation of the two N—H bonds are anti to each other. The amide C=O and the C=S are are also anti to each other. The N—H bond adjacent to the benzene ring is syn to the m-methyl groups. The dihedral angle between the benzene ring and the side chain [mean plane of atoms C—C(O)N—C—N; maximum deviation 0.029 (2) Å] is 14.30 (7)°. There is an intramolecular N—H⋯O hydrogen bond generating an S(6) ring motif. In the crystal, the molecules are linked via N—H⋯) hydrogen bonds, forming chains propagating along [001]. The S atom is disordered and was refined using a split model [occupancy ratio 0.56 (4):0.44 (4)]. |
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