Cargando…
1-[2-Oxo-5-(trifluoromethoxy)indolin-3-ylidene]-4-[4-(trifluoromethyl)phenyl]thiosemicarbazide
In the title compound, C(17)H(10)F(6)N(4)O(2)S, an intramolecular N—H⋯N hydrogen bonds forms an S(5) ring whereas N—H⋯O and C—H⋯S interactions complete S(6) ring motifs. The dihedral angle between the fused ring system and the phenyl ring is 6.68 (8)°. In the crystal, the molecules are dimerized...
Autores principales: | , , , , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006819/ https://www.ncbi.nlm.nih.gov/pubmed/21587965 http://dx.doi.org/10.1107/S1600536810023494 |
_version_ | 1782194229863251968 |
---|---|
author | Pervez, Humayun Iqbal, Mohammad S. Saira, Naveeda Yaqub, Muhammad Tahir, M. Nawaz |
author_facet | Pervez, Humayun Iqbal, Mohammad S. Saira, Naveeda Yaqub, Muhammad Tahir, M. Nawaz |
author_sort | Pervez, Humayun |
collection | PubMed |
description | In the title compound, C(17)H(10)F(6)N(4)O(2)S, an intramolecular N—H⋯N hydrogen bonds forms an S(5) ring whereas N—H⋯O and C—H⋯S interactions complete S(6) ring motifs. The dihedral angle between the fused ring system and the phenyl ring is 6.68 (8)°. In the crystal, the molecules are dimerized due to N—H⋯O interactions. π–π interactions are present between the benzene rings [centroid–centroid distance = 3.6913 (15) Å] and between the five membered ring and the trifluoromethyl)phenyl ring [centroids–centroid distance = 3.7827 (16) Å]. One of the trifluoromethoxy F atoms is disordered over two sites with occupancy ratio of 0.76 (3):0.24 (3). The F atoms of the p-trifluoromethyl substituent are disordered over three sets of sites with an occupancy ratio of 0.70 (2):0.152 (11):0.147 (13). |
format | Text |
id | pubmed-3006819 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30068192010-12-30 1-[2-Oxo-5-(trifluoromethoxy)indolin-3-ylidene]-4-[4-(trifluoromethyl)phenyl]thiosemicarbazide Pervez, Humayun Iqbal, Mohammad S. Saira, Naveeda Yaqub, Muhammad Tahir, M. Nawaz Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(10)F(6)N(4)O(2)S, an intramolecular N—H⋯N hydrogen bonds forms an S(5) ring whereas N—H⋯O and C—H⋯S interactions complete S(6) ring motifs. The dihedral angle between the fused ring system and the phenyl ring is 6.68 (8)°. In the crystal, the molecules are dimerized due to N—H⋯O interactions. π–π interactions are present between the benzene rings [centroid–centroid distance = 3.6913 (15) Å] and between the five membered ring and the trifluoromethyl)phenyl ring [centroids–centroid distance = 3.7827 (16) Å]. One of the trifluoromethoxy F atoms is disordered over two sites with occupancy ratio of 0.76 (3):0.24 (3). The F atoms of the p-trifluoromethyl substituent are disordered over three sets of sites with an occupancy ratio of 0.70 (2):0.152 (11):0.147 (13). International Union of Crystallography 2010-06-23 /pmc/articles/PMC3006819/ /pubmed/21587965 http://dx.doi.org/10.1107/S1600536810023494 Text en © Pervez et al. 2010 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 Pervez, Humayun Iqbal, Mohammad S. Saira, Naveeda Yaqub, Muhammad Tahir, M. Nawaz 1-[2-Oxo-5-(trifluoromethoxy)indolin-3-ylidene]-4-[4-(trifluoromethyl)phenyl]thiosemicarbazide |
title | 1-[2-Oxo-5-(trifluoromethoxy)indolin-3-ylidene]-4-[4-(trifluoromethyl)phenyl]thiosemicarbazide |
title_full | 1-[2-Oxo-5-(trifluoromethoxy)indolin-3-ylidene]-4-[4-(trifluoromethyl)phenyl]thiosemicarbazide |
title_fullStr | 1-[2-Oxo-5-(trifluoromethoxy)indolin-3-ylidene]-4-[4-(trifluoromethyl)phenyl]thiosemicarbazide |
title_full_unstemmed | 1-[2-Oxo-5-(trifluoromethoxy)indolin-3-ylidene]-4-[4-(trifluoromethyl)phenyl]thiosemicarbazide |
title_short | 1-[2-Oxo-5-(trifluoromethoxy)indolin-3-ylidene]-4-[4-(trifluoromethyl)phenyl]thiosemicarbazide |
title_sort | 1-[2-oxo-5-(trifluoromethoxy)indolin-3-ylidene]-4-[4-(trifluoromethyl)phenyl]thiosemicarbazide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006819/ https://www.ncbi.nlm.nih.gov/pubmed/21587965 http://dx.doi.org/10.1107/S1600536810023494 |
work_keys_str_mv | AT pervezhumayun 12oxo5trifluoromethoxyindolin3ylidene44trifluoromethylphenylthiosemicarbazide AT iqbalmohammads 12oxo5trifluoromethoxyindolin3ylidene44trifluoromethylphenylthiosemicarbazide AT sairanaveeda 12oxo5trifluoromethoxyindolin3ylidene44trifluoromethylphenylthiosemicarbazide AT yaqubmuhammad 12oxo5trifluoromethoxyindolin3ylidene44trifluoromethylphenylthiosemicarbazide AT tahirmnawaz 12oxo5trifluoromethoxyindolin3ylidene44trifluoromethylphenylthiosemicarbazide |