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https://ri.ufs.br/jspui/handle/riufs/24732| Document Type: | Artigo |
| Title: | Crystal structure of (E)-2-[1-(1,3-benzodioxol-5-yl)ethylidene]-N-ethylhydrazine-1-carbothioamide |
| Authors: | Oliveira, Adriano Bof de Farias, Renan Lira de Näther, Christian Jess, Inke |
| Issue Date: | 2015 |
| Resumo : | In the title compound, C12H15N3O2S, the 1,3-benzdioxole fragment is nearly planar [the maximum deviation being 0.0515 (14) A˚ ], the N—N—C( S)—N fragment is also nearly planar [the maximum deviation being 0.0480 (10) A˚ ], and the dihedral angle between their mean planes is 23.49 (10). In the crystal, molecules are linked by pairs of N—HS 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. |
| Keywords: | Crystal structure Thiosemicarbazone Benzo[d][1,3]dioxole N—HS hydrogen bonds |
| ISSN: | 2056-9890 |
| Is part of: | Acta Crystallographica Section E |
| Language: | eng |
| Publisher / Institution : | International Union of Crystallography |
| Citation: | OLIVEIRA, A. B. et al. Crystal structure of (E)-2-[1-(1,3-benzodioxol-5-yl)ethylidene]-N-ethylhydrazine-1-carbothioamide. Acta Crystallographica Section E, Chester, v. 71, n. 3, 2015. Disponível em: https://journals.iucr.org/e/issues/2015/03/00/xu5837/index.html. Acesso em: 10 mar. 2026. |
| License: | Creative Commons Atribuição 2.0 Reino unido: Inglaterra e País de Gales (CC BY 2.0 UK) |
| Identifier: | https://doi.org/10.1107/S2056989015003837 |
| URI: | https://ri.ufs.br/jspui/handle/riufs/24732 |
| Appears in Collections: | DQI - Artigos de periódicos |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| CrystalStructure(E)-2-[1-(1,3-benzodioxol-5-yl).pdf | 389,1 kB | Adobe PDF |  View/Open |
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