Cargando…
(2E)-2-[(3-Methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide
In the title compound, C(18)H(17)N(5)OS, the mean plane of the pyrazole ring [maximum deviation = 0.0031 (12) Å] forms dihedral angles of 19.6 (4) and 9.3 (5)° with the two disorder components of the N-bound benzene ring (with equal occupancies for the two orientations) and a dihedral angle of 72.58...
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/PMC3393955/ https://www.ncbi.nlm.nih.gov/pubmed/22798820 http://dx.doi.org/10.1107/S1600536812026931 |
_version_ | 1782237790224777216 |
---|---|
author | Fun, Hoong-Kun Quah, Ching Kheng Shetty, Shobhitha Kalluraya, Balakrishna Nitinchandra, |
author_facet | Fun, Hoong-Kun Quah, Ching Kheng Shetty, Shobhitha Kalluraya, Balakrishna Nitinchandra, |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | In the title compound, C(18)H(17)N(5)OS, the mean plane of the pyrazole ring [maximum deviation = 0.0031 (12) Å] forms dihedral angles of 19.6 (4) and 9.3 (5)° with the two disorder components of the N-bound benzene ring (with equal occupancies for the two orientations) and a dihedral angle of 72.58 (8)° with the C—O-bonded benzene ring. The molecule exists in a trans conformation with respect to the N=C bond [1.2792 (19) Å]. The molecular structure features an intramolecular C—H⋯O hydrogen bond, forming an S(6) ring. In the crystal, N—H⋯N and N—H⋯S hydrogen bonds result in the formation of zigzag layers lying parallel to (10-1). |
format | Online Article Text |
id | pubmed-3393955 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33939552012-07-13 (2E)-2-[(3-Methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide Fun, Hoong-Kun Quah, Ching Kheng Shetty, Shobhitha Kalluraya, Balakrishna Nitinchandra, Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(18)H(17)N(5)OS, the mean plane of the pyrazole ring [maximum deviation = 0.0031 (12) Å] forms dihedral angles of 19.6 (4) and 9.3 (5)° with the two disorder components of the N-bound benzene ring (with equal occupancies for the two orientations) and a dihedral angle of 72.58 (8)° with the C—O-bonded benzene ring. The molecule exists in a trans conformation with respect to the N=C bond [1.2792 (19) Å]. The molecular structure features an intramolecular C—H⋯O hydrogen bond, forming an S(6) ring. In the crystal, N—H⋯N and N—H⋯S hydrogen bonds result in the formation of zigzag layers lying parallel to (10-1). International Union of Crystallography 2012-06-20 /pmc/articles/PMC3393955/ /pubmed/22798820 http://dx.doi.org/10.1107/S1600536812026931 Text en © Fun 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 Fun, Hoong-Kun Quah, Ching Kheng Shetty, Shobhitha Kalluraya, Balakrishna Nitinchandra, (2E)-2-[(3-Methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide |
title | (2E)-2-[(3-Methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide |
title_full | (2E)-2-[(3-Methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide |
title_fullStr | (2E)-2-[(3-Methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide |
title_full_unstemmed | (2E)-2-[(3-Methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide |
title_short | (2E)-2-[(3-Methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide |
title_sort | (2e)-2-[(3-methyl-5-phenoxy-1-phenyl-1h-pyrazol-4-yl)methylidene]hydrazinecarbothioamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393955/ https://www.ncbi.nlm.nih.gov/pubmed/22798820 http://dx.doi.org/10.1107/S1600536812026931 |
work_keys_str_mv | AT funhoongkun 2e23methyl5phenoxy1phenyl1hpyrazol4ylmethylidenehydrazinecarbothioamide AT quahchingkheng 2e23methyl5phenoxy1phenyl1hpyrazol4ylmethylidenehydrazinecarbothioamide AT shettyshobhitha 2e23methyl5phenoxy1phenyl1hpyrazol4ylmethylidenehydrazinecarbothioamide AT kallurayabalakrishna 2e23methyl5phenoxy1phenyl1hpyrazol4ylmethylidenehydrazinecarbothioamide AT nitinchandra 2e23methyl5phenoxy1phenyl1hpyrazol4ylmethylidenehydrazinecarbothioamide |