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Tipo de Documento: Artigo
Título : Crystal structure of (E)-2-[1-(1,3-benzodioxol-5-yl)ethylidene]-N-ethylhydrazine-1-carbothioamide
Autor : Oliveira, Adriano Bof de
Farias, Renan Lira de
Näther, Christian
Jess, Inke
Fecha de publicación : 2015
Resumen: 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.
Palabras clave : Crystal structure
Thiosemicarbazone
Benzo[d][1,3]dioxole
N—HS hydrogen bonds
ISSN : 2056-9890
Es parte de: Acta Crystallographica Section E
Idioma : eng
Institución / Editorial : International Union of Crystallography
Citación : 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)
Identificador: https://doi.org/10.1107/S2056989015003837
URI : https://ri.ufs.br/jspui/handle/riufs/24732
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