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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...

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Detalles Bibliográficos
Autores principales: Gowda, B. Thimme, Foro, Sabine, Kumar, Sharatha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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)].
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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
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