Cargando…
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...
Autores principales: | , , |
---|---|
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 |
_version_ | 1782237798429884416 |
---|---|
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. |
format | Online Article Text |
id | pubmed-3393991 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT kumarsharatha 3acetyl123dimethylphenylthiourea AT forosabine 3acetyl123dimethylphenylthiourea AT gowdabthimme 3acetyl123dimethylphenylthiourea |