Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



qk2055 scheme

Acta Cryst. (2013). E69, o644    [ doi:10.1107/S1600536813008398 ]

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

A. B. de Oliveira, R. L. de Farias, C. Näther, I. Jess and L. Bresolin

Abstract: 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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