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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...

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Autores principales: de Oliveira, Adriano Bof, Beck, Johannes, Landvogt, Christian, Feitosa, Bárbara Regina Santos, Rocha, Fillipe Vieira
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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].
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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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