(2E)-2-[(3-Methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide
In the title compound, C18H17N5OS, 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)°...
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| Format: | Online |
| Language: | English |
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International Union of Crystallography
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393955/ |
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pubmed-3393955 |
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oai_dc |
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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, Organic Papers In the title compound, C18H17N5OS, 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. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Fun, Hoong-Kun Quah, Ching Kheng Shetty, Shobhitha Kalluraya, Balakrishna Nitinchandra, |
| spellingShingle |
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 |
| author_facet |
Fun, Hoong-Kun Quah, Ching Kheng Shetty, Shobhitha Kalluraya, Balakrishna Nitinchandra, |
| author_sort |
Fun, Hoong-Kun |
| title |
(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_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_sort |
(2e)-2-[(3-methyl-5-phenoxy-1-phenyl-1h-pyrazol-4-yl)methylidene]hydrazinecarbothioamide |
| description |
In the title compound, C18H17N5OS, 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). |
| publisher |
International Union of Crystallography |
| publishDate |
2012 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393955/ |
| _version_ |
1611542215821099008 |