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3-Acetyl-1-(2,3-dimethyl­phen­yl)thio­urea

In the crystal structure of the title compound, C(11)H(14)N(2)OS, the conformation of the two N—H bonds is anti. The conformation of the C=S and the C=O bonds is also anti. Furthermore, the N—H bond adjacent to the benzene ring is anti to the ortho- and meta-methyl groups. The dihedral angle between...

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Detalles Bibliográficos
Autores principales: Kumar, Sharatha, Foro, Sabine, Gowda, B. Thimme
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393991/
https://www.ncbi.nlm.nih.gov/pubmed/22798856
http://dx.doi.org/10.1107/S1600536812027973
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author Kumar, Sharatha
Foro, Sabine
Gowda, B. Thimme
author_facet Kumar, Sharatha
Foro, Sabine
Gowda, B. Thimme
author_sort Kumar, Sharatha
collection PubMed
description In the crystal structure of the title compound, C(11)H(14)N(2)OS, the conformation of the two N—H bonds is anti. The conformation of the C=S and the C=O bonds is also anti. Furthermore, the N—H bond adjacent to the benzene ring is anti to the ortho- and meta-methyl groups. The dihedral angle between the benzene ring and the side chain [N—C(= S)—N—C(=O)—C; maximum deviation = 0.047 (4) Å] is 81.33 (10)°. The NH hydrogen adjacent to the benzene ring and the amide O atom exhibit bifurcated intra- and inter­molecular hydrogen bonding. In the crystal, mol­ecules form inversion dimers, which are linked into chains via R (2) (2)(12) and R (2) (2)(8) networks.
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spelling pubmed-33939912012-07-13 3-Acetyl-1-(2,3-dimethyl­phen­yl)thio­urea Kumar, Sharatha Foro, Sabine Gowda, B. Thimme Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(11)H(14)N(2)OS, the conformation of the two N—H bonds is anti. The conformation of the C=S and the C=O bonds is also anti. Furthermore, the N—H bond adjacent to the benzene ring is anti to the ortho- and meta-methyl groups. The dihedral angle between the benzene ring and the side chain [N—C(= S)—N—C(=O)—C; maximum deviation = 0.047 (4) Å] is 81.33 (10)°. The NH hydrogen adjacent to the benzene ring and the amide O atom exhibit bifurcated intra- and inter­molecular hydrogen bonding. In the crystal, mol­ecules form inversion dimers, which are linked into chains via R (2) (2)(12) and R (2) (2)(8) networks. International Union of Crystallography 2012-06-23 /pmc/articles/PMC3393991/ /pubmed/22798856 http://dx.doi.org/10.1107/S1600536812027973 Text en © Kumar 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
Kumar, Sharatha
Foro, Sabine
Gowda, B. Thimme
3-Acetyl-1-(2,3-dimethyl­phen­yl)thio­urea
title 3-Acetyl-1-(2,3-dimethyl­phen­yl)thio­urea
title_full 3-Acetyl-1-(2,3-dimethyl­phen­yl)thio­urea
title_fullStr 3-Acetyl-1-(2,3-dimethyl­phen­yl)thio­urea
title_full_unstemmed 3-Acetyl-1-(2,3-dimethyl­phen­yl)thio­urea
title_short 3-Acetyl-1-(2,3-dimethyl­phen­yl)thio­urea
title_sort 3-acetyl-1-(2,3-dimethyl­phen­yl)thio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393991/
https://www.ncbi.nlm.nih.gov/pubmed/22798856
http://dx.doi.org/10.1107/S1600536812027973
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