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

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Resumo

In the title compound, C10H11N3O2S, 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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Single-crystal X-ray study, T = 200 K, Mean (C–C) = 0.002 A°, R factor = 0.037, wR factor = 0.107, Data-to-parameter ratio = 15.7

Citação

OLIVEIRA, Adriano Bof de et al. 1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone. Acta Crystallographica. Section E, v. 69, n. 5, p. 644, 2013. Disponível em:<http://scripts.iucr.org/cgi-bin/paper?S1600536813008398>. Acesso em: 23 set. 2014.

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