Cargando…
3-Methyl-5-oxo-4-(2-phenylhydrazinylidene)-4,5-dihydro-1H-pyrazole-1-carbothioamide
In the title compound, C(11)H(11)N(5)OS, the pyrazole ring is approximately planar, with a maximum deviation of 0.010 (2) Å. The dihedral angles between the benzene ring and the pyrazole and carbothioamide groups are 5.42 (9) and 10.61 (18)°, respectively. An intramolecular N—H⋯O hydrogen bond gen...
Autores principales: | , , , , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099837/ https://www.ncbi.nlm.nih.gov/pubmed/21754198 http://dx.doi.org/10.1107/S1600536811009779 |
_version_ | 1782204096615284736 |
---|---|
author | Fun, Hoong-Kun Asik, Safra Izuani Jama Razak, Ibrahim Abdul Shetty, Shobhitha Kalluraya, Balakrishna |
author_facet | Fun, Hoong-Kun Asik, Safra Izuani Jama Razak, Ibrahim Abdul Shetty, Shobhitha Kalluraya, Balakrishna |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | In the title compound, C(11)H(11)N(5)OS, the pyrazole ring is approximately planar, with a maximum deviation of 0.010 (2) Å. The dihedral angles between the benzene ring and the pyrazole and carbothioamide groups are 5.42 (9) and 10.61 (18)°, respectively. An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are connected by intermolecular N—H⋯O and C—H⋯S hydrogen bonds, forming R (2) (2)(12) ring motifs. In addition, there is a π–π stacking interaction [centroid–centroid distance = 3.5188 (11) Å] between the pyrazole and benzene rings. These interactions link the molecules into infinite chains along [001]. |
format | Text |
id | pubmed-3099837 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30998372011-07-13 3-Methyl-5-oxo-4-(2-phenylhydrazinylidene)-4,5-dihydro-1H-pyrazole-1-carbothioamide Fun, Hoong-Kun Asik, Safra Izuani Jama Razak, Ibrahim Abdul Shetty, Shobhitha Kalluraya, Balakrishna Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(11)N(5)OS, the pyrazole ring is approximately planar, with a maximum deviation of 0.010 (2) Å. The dihedral angles between the benzene ring and the pyrazole and carbothioamide groups are 5.42 (9) and 10.61 (18)°, respectively. An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are connected by intermolecular N—H⋯O and C—H⋯S hydrogen bonds, forming R (2) (2)(12) ring motifs. In addition, there is a π–π stacking interaction [centroid–centroid distance = 3.5188 (11) Å] between the pyrazole and benzene rings. These interactions link the molecules into infinite chains along [001]. International Union of Crystallography 2011-03-19 /pmc/articles/PMC3099837/ /pubmed/21754198 http://dx.doi.org/10.1107/S1600536811009779 Text en © Fun et al. 2011 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 Fun, Hoong-Kun Asik, Safra Izuani Jama Razak, Ibrahim Abdul Shetty, Shobhitha Kalluraya, Balakrishna 3-Methyl-5-oxo-4-(2-phenylhydrazinylidene)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title | 3-Methyl-5-oxo-4-(2-phenylhydrazinylidene)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_full | 3-Methyl-5-oxo-4-(2-phenylhydrazinylidene)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_fullStr | 3-Methyl-5-oxo-4-(2-phenylhydrazinylidene)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_full_unstemmed | 3-Methyl-5-oxo-4-(2-phenylhydrazinylidene)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_short | 3-Methyl-5-oxo-4-(2-phenylhydrazinylidene)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_sort | 3-methyl-5-oxo-4-(2-phenylhydrazinylidene)-4,5-dihydro-1h-pyrazole-1-carbothioamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099837/ https://www.ncbi.nlm.nih.gov/pubmed/21754198 http://dx.doi.org/10.1107/S1600536811009779 |
work_keys_str_mv | AT funhoongkun 3methyl5oxo42phenylhydrazinylidene45dihydro1hpyrazole1carbothioamide AT asiksafraizuanijama 3methyl5oxo42phenylhydrazinylidene45dihydro1hpyrazole1carbothioamide AT razakibrahimabdul 3methyl5oxo42phenylhydrazinylidene45dihydro1hpyrazole1carbothioamide AT shettyshobhitha 3methyl5oxo42phenylhydrazinylidene45dihydro1hpyrazole1carbothioamide AT kallurayabalakrishna 3methyl5oxo42phenylhydrazinylidene45dihydro1hpyrazole1carbothioamide |