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1-(2H-1,3-Benzodioxol-5-yl)ethanone thio­semicarbazone

In the title compound, C(10)H(11)N(3)O(2)S, the 1,3-benzodioxole and hydrazinecarbothio­amide fragments are nearly planar [(mean deviations from planarity for non-H atoms of 0.0325 (12) Å and 0.0707 (10) Å, respectively] and subtend a dihedral angle of 29.06 (5)°. In the crystal, mol­ecules are link...

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Autores principales: de Oliveira, Adriano Bof, de Farias, Renan Lira, Näther, Christian, Jess, Inke, Bresolin, Leandro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647843/
https://www.ncbi.nlm.nih.gov/pubmed/23723809
http://dx.doi.org/10.1107/S1600536813008398
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author de Oliveira, Adriano Bof
de Farias, Renan Lira
Näther, Christian
Jess, Inke
Bresolin, Leandro
author_facet de Oliveira, Adriano Bof
de Farias, Renan Lira
Näther, Christian
Jess, Inke
Bresolin, Leandro
author_sort de Oliveira, Adriano Bof
collection PubMed
description In the title compound, C(10)H(11)N(3)O(2)S, the 1,3-benzodioxole and hydrazinecarbothio­amide fragments are nearly planar [(mean deviations from planarity for non-H atoms of 0.0325 (12) Å and 0.0707 (10) Å, respectively] and subtend a dihedral angle of 29.06 (5)°. In the crystal, mol­ecules are linked by pairs of almost linear N—H⋯S hydrogen bonds, forming inversion dimers. These dimers are additionally connected by weaker and strongly bent N—H⋯S inter­actions into chains along [101]. There is one additional weak N—H⋯O contact which, if considered as an inter­action, leads to the formation of a three-dimensional network.
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spelling pubmed-36478432013-05-30 1-(2H-1,3-Benzodioxol-5-yl)ethanone thio­semicarbazone de Oliveira, Adriano Bof de Farias, Renan Lira Näther, Christian Jess, Inke Bresolin, Leandro Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(11)N(3)O(2)S, the 1,3-benzodioxole and hydrazinecarbothio­amide fragments are nearly planar [(mean deviations from planarity for non-H atoms of 0.0325 (12) Å and 0.0707 (10) Å, respectively] and subtend a dihedral angle of 29.06 (5)°. In the crystal, mol­ecules are linked by pairs of almost linear N—H⋯S hydrogen bonds, forming inversion dimers. These dimers are additionally connected by weaker and strongly bent N—H⋯S inter­actions into chains along [101]. There is one additional weak N—H⋯O contact which, if considered as an inter­action, leads to the formation of a three-dimensional network. International Union of Crystallography 2013-04-05 /pmc/articles/PMC3647843/ /pubmed/23723809 http://dx.doi.org/10.1107/S1600536813008398 Text en © Oliveira et al. 2013 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
de Oliveira, Adriano Bof
de Farias, Renan Lira
Näther, Christian
Jess, Inke
Bresolin, Leandro
1-(2H-1,3-Benzodioxol-5-yl)ethanone thio­semicarbazone
title 1-(2H-1,3-Benzodioxol-5-yl)ethanone thio­semicarbazone
title_full 1-(2H-1,3-Benzodioxol-5-yl)ethanone thio­semicarbazone
title_fullStr 1-(2H-1,3-Benzodioxol-5-yl)ethanone thio­semicarbazone
title_full_unstemmed 1-(2H-1,3-Benzodioxol-5-yl)ethanone thio­semicarbazone
title_short 1-(2H-1,3-Benzodioxol-5-yl)ethanone thio­semicarbazone
title_sort 1-(2h-1,3-benzodioxol-5-yl)ethanone thio­semicarbazone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647843/
https://www.ncbi.nlm.nih.gov/pubmed/23723809
http://dx.doi.org/10.1107/S1600536813008398
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