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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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. |
format | Online Article Text |
id | pubmed-3647843 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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