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Crystal structure of (Z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide
In the title compound, C(9)H(7)FN(4)OS, the molecules are almost planar, with an r.m.s. deviation of 0.047 (3) Å from the mean plane defined by the non-H atoms and a maximum deviation of 0.123 (2) Å for the amine N atom. The torsion angle for the N—N—C—S unit is 176.57 (19)°. In the crystal, molec...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459295/ https://www.ncbi.nlm.nih.gov/pubmed/26090179 http://dx.doi.org/10.1107/S2056989015008609 |
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author | Bittencourt, Viviane C. D. Almeida, Vitor Y. G. Back, Davi F. Gervini, Vanessa C. de Oliveira, Adriano Bof |
author_facet | Bittencourt, Viviane C. D. Almeida, Vitor Y. G. Back, Davi F. Gervini, Vanessa C. de Oliveira, Adriano Bof |
author_sort | Bittencourt, Viviane C. D. |
collection | PubMed |
description | In the title compound, C(9)H(7)FN(4)OS, the molecules are almost planar, with an r.m.s. deviation of 0.047 (3) Å from the mean plane defined by the non-H atoms and a maximum deviation of 0.123 (2) Å for the amine N atom. The torsion angle for the N—N—C—S unit is 176.57 (19)°. In the crystal, molecules are linked into inversion dimers via pairs of N—H⋯F hydrogen bonds and, additionally, through N—H⋯O and N—H⋯S hydrogen bonds, building a two-dimensional hydrogen-bond network parallel to the (103) plane. An intramolecular N—H⋯O interaction is also observed. |
format | Online Article Text |
id | pubmed-4459295 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44592952015-06-18 Crystal structure of (Z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide Bittencourt, Viviane C. D. Almeida, Vitor Y. G. Back, Davi F. Gervini, Vanessa C. de Oliveira, Adriano Bof Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(9)H(7)FN(4)OS, the molecules are almost planar, with an r.m.s. deviation of 0.047 (3) Å from the mean plane defined by the non-H atoms and a maximum deviation of 0.123 (2) Å for the amine N atom. The torsion angle for the N—N—C—S unit is 176.57 (19)°. In the crystal, molecules are linked into inversion dimers via pairs of N—H⋯F hydrogen bonds and, additionally, through N—H⋯O and N—H⋯S hydrogen bonds, building a two-dimensional hydrogen-bond network parallel to the (103) plane. An intramolecular N—H⋯O interaction is also observed. International Union of Crystallography 2015-05-09 /pmc/articles/PMC4459295/ /pubmed/26090179 http://dx.doi.org/10.1107/S2056989015008609 Text en © Bittencourt et al. 2015 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 | Data Reports Bittencourt, Viviane C. D. Almeida, Vitor Y. G. Back, Davi F. Gervini, Vanessa C. de Oliveira, Adriano Bof Crystal structure of (Z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide |
title | Crystal structure of (Z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide |
title_full | Crystal structure of (Z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide |
title_fullStr | Crystal structure of (Z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide |
title_full_unstemmed | Crystal structure of (Z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide |
title_short | Crystal structure of (Z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide |
title_sort | crystal structure of (z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459295/ https://www.ncbi.nlm.nih.gov/pubmed/26090179 http://dx.doi.org/10.1107/S2056989015008609 |
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