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Crystal structure of (E)-2-[1-(1,3-benzodioxol-5-yl)ethyl­idene]-N-ethyl­hydra­zine-1-carbo­thio­amide

In the title compound, C(12)H(15)N(3)O(2)S, the 1,3-benzdioxole fragment is nearly planar [the maximum deviation being 0.0515 (14) Å], the N—N—C(=S)—N fragment is also nearly planar [the maximum deviation being 0.0480 (10) Å], and the dihedral angle between their mean planes is 23.49 (10)°. In the c...

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Autores principales: de Oliveira, Adriano Bof, Lira de Farias, Renan, Näther, Christian, Jess, Inke
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350709/
https://www.ncbi.nlm.nih.gov/pubmed/25844252
http://dx.doi.org/10.1107/S2056989015003837
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author de Oliveira, Adriano Bof
Lira de Farias, Renan
Näther, Christian
Jess, Inke
author_facet de Oliveira, Adriano Bof
Lira de Farias, Renan
Näther, Christian
Jess, Inke
author_sort de Oliveira, Adriano Bof
collection PubMed
description In the title compound, C(12)H(15)N(3)O(2)S, the 1,3-benzdioxole fragment is nearly planar [the maximum deviation being 0.0515 (14) Å], the N—N—C(=S)—N fragment is also nearly planar [the maximum deviation being 0.0480 (10) Å], and the dihedral angle between their mean planes is 23.49 (10)°. In the crystal, mol­ecules are linked by pairs of N—H⋯S hydrogen bonds, forming inversion dimers. The dimers are stacked along the a axis with neighbouring columns having the same direction; however, the mol­ecules show different orientations leading to a centrosymmetric arrangement. In the crystal, the methyl­ene group of the ethyl substituent and the terminal methyl H atoms are disordered over two sets of sites and were refined using a split model with an occupancy ratio of 0.5:0.5.
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spelling pubmed-43507092015-04-03 Crystal structure of (E)-2-[1-(1,3-benzodioxol-5-yl)ethyl­idene]-N-ethyl­hydra­zine-1-carbo­thio­amide de Oliveira, Adriano Bof Lira de Farias, Renan Näther, Christian Jess, Inke Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(12)H(15)N(3)O(2)S, the 1,3-benzdioxole fragment is nearly planar [the maximum deviation being 0.0515 (14) Å], the N—N—C(=S)—N fragment is also nearly planar [the maximum deviation being 0.0480 (10) Å], and the dihedral angle between their mean planes is 23.49 (10)°. In the crystal, mol­ecules are linked by pairs of N—H⋯S hydrogen bonds, forming inversion dimers. The dimers are stacked along the a axis with neighbouring columns having the same direction; however, the mol­ecules show different orientations leading to a centrosymmetric arrangement. In the crystal, the methyl­ene group of the ethyl substituent and the terminal methyl H atoms are disordered over two sets of sites and were refined using a split model with an occupancy ratio of 0.5:0.5. International Union of Crystallography 2015-02-28 /pmc/articles/PMC4350709/ /pubmed/25844252 http://dx.doi.org/10.1107/S2056989015003837 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
Lira de Farias, Renan
Näther, Christian
Jess, Inke
Crystal structure of (E)-2-[1-(1,3-benzodioxol-5-yl)ethyl­idene]-N-ethyl­hydra­zine-1-carbo­thio­amide
title Crystal structure of (E)-2-[1-(1,3-benzodioxol-5-yl)ethyl­idene]-N-ethyl­hydra­zine-1-carbo­thio­amide
title_full Crystal structure of (E)-2-[1-(1,3-benzodioxol-5-yl)ethyl­idene]-N-ethyl­hydra­zine-1-carbo­thio­amide
title_fullStr Crystal structure of (E)-2-[1-(1,3-benzodioxol-5-yl)ethyl­idene]-N-ethyl­hydra­zine-1-carbo­thio­amide
title_full_unstemmed Crystal structure of (E)-2-[1-(1,3-benzodioxol-5-yl)ethyl­idene]-N-ethyl­hydra­zine-1-carbo­thio­amide
title_short Crystal structure of (E)-2-[1-(1,3-benzodioxol-5-yl)ethyl­idene]-N-ethyl­hydra­zine-1-carbo­thio­amide
title_sort crystal structure of (e)-2-[1-(1,3-benzodioxol-5-yl)ethyl­idene]-n-ethyl­hydra­zine-1-carbo­thio­amide
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350709/
https://www.ncbi.nlm.nih.gov/pubmed/25844252
http://dx.doi.org/10.1107/S2056989015003837
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