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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 |
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author | Gowda, B. Thimme Foro, Sabine Kumar, Sharatha |
author_facet | Gowda, B. Thimme Foro, Sabine Kumar, Sharatha |
author_sort | Gowda, B. Thimme |
collection | PubMed |
description | 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)]. |
format | Online Article Text |
id | pubmed-3415014 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34150142012-08-17 3-Acetyl-1-(3-methylphenyl)thiourea Gowda, B. Thimme Foro, Sabine Kumar, Sharatha Acta Crystallogr Sect E Struct Rep Online Organic Papers 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)]. International Union of Crystallography 2012-07-28 /pmc/articles/PMC3415014/ /pubmed/22905001 http://dx.doi.org/10.1107/S1600536812032825 Text en © Gowda et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Gowda, B. Thimme Foro, Sabine Kumar, Sharatha 3-Acetyl-1-(3-methylphenyl)thiourea |
title | 3-Acetyl-1-(3-methylphenyl)thiourea |
title_full | 3-Acetyl-1-(3-methylphenyl)thiourea |
title_fullStr | 3-Acetyl-1-(3-methylphenyl)thiourea |
title_full_unstemmed | 3-Acetyl-1-(3-methylphenyl)thiourea |
title_short | 3-Acetyl-1-(3-methylphenyl)thiourea |
title_sort | 3-acetyl-1-(3-methylphenyl)thiourea |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3415014/ https://www.ncbi.nlm.nih.gov/pubmed/22905001 http://dx.doi.org/10.1107/S1600536812032825 |
work_keys_str_mv | AT gowdabthimme 3acetyl13methylphenylthiourea AT forosabine 3acetyl13methylphenylthiourea AT kumarsharatha 3acetyl13methylphenylthiourea |