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Crystal structure of (E)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazine-1-carbothioamide
The title compound, C(11)H(15)N(3)OS, is a thiosemicarbazone derivative of the raspberry ketone rheosmin [systematic name: 4-(4-hydroxyphenyl)butane-2-one]. The molecule deviates from planarity, with the bridging C—C—C=N torsion angle equal to −101.3 (2)°. The maximum deviation from the mean pl...
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/PMC4331873/ https://www.ncbi.nlm.nih.gov/pubmed/25705493 http://dx.doi.org/10.1107/S2056989014026401 |
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author | de Oliveira, Adriano Bof Beck, Johannes Landvogt, Christian Feitosa, Bárbara Regina Santos Rocha, Fillipe Vieira |
author_facet | de Oliveira, Adriano Bof Beck, Johannes Landvogt, Christian Feitosa, Bárbara Regina Santos Rocha, Fillipe Vieira |
author_sort | de Oliveira, Adriano Bof |
collection | PubMed |
description | The title compound, C(11)H(15)N(3)OS, is a thiosemicarbazone derivative of the raspberry ketone rheosmin [systematic name: 4-(4-hydroxyphenyl)butane-2-one]. The molecule deviates from planarity, with the bridging C—C—C=N torsion angle equal to −101.3 (2)°. The maximum deviation from the mean plane of the non-H atoms of the thiosemicarbazone fragment [C=N—N—C(= S)—N] is 0.085 (5) Å for the Schiff base N atom, and the dihedral angle between this mean plane and the aromatic ring is 50.31 (8)°. In the crystal, molecules are linked by N—H⋯O, N—H⋯S and O—H⋯S hydrogen bonds, forming a three-dimensional structure, with the molecules stacked along [011]. |
format | Online Article Text |
id | pubmed-4331873 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43318732015-02-20 Crystal structure of (E)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazine-1-carbothioamide de Oliveira, Adriano Bof Beck, Johannes Landvogt, Christian Feitosa, Bárbara Regina Santos Rocha, Fillipe Vieira Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(11)H(15)N(3)OS, is a thiosemicarbazone derivative of the raspberry ketone rheosmin [systematic name: 4-(4-hydroxyphenyl)butane-2-one]. The molecule deviates from planarity, with the bridging C—C—C=N torsion angle equal to −101.3 (2)°. The maximum deviation from the mean plane of the non-H atoms of the thiosemicarbazone fragment [C=N—N—C(= S)—N] is 0.085 (5) Å for the Schiff base N atom, and the dihedral angle between this mean plane and the aromatic ring is 50.31 (8)°. In the crystal, molecules are linked by N—H⋯O, N—H⋯S and O—H⋯S hydrogen bonds, forming a three-dimensional structure, with the molecules stacked along [011]. International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331873/ /pubmed/25705493 http://dx.doi.org/10.1107/S2056989014026401 Text en © Oliveira 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 de Oliveira, Adriano Bof Beck, Johannes Landvogt, Christian Feitosa, Bárbara Regina Santos Rocha, Fillipe Vieira Crystal structure of (E)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazine-1-carbothioamide |
title | Crystal structure of (E)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazine-1-carbothioamide |
title_full | Crystal structure of (E)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazine-1-carbothioamide |
title_fullStr | Crystal structure of (E)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazine-1-carbothioamide |
title_full_unstemmed | Crystal structure of (E)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazine-1-carbothioamide |
title_short | Crystal structure of (E)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazine-1-carbothioamide |
title_sort | crystal structure of (e)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazine-1-carbothioamide |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331873/ https://www.ncbi.nlm.nih.gov/pubmed/25705493 http://dx.doi.org/10.1107/S2056989014026401 |
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