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1-(2H-1,3-Benzodioxol-5-yl)ethanone thio-semicarbazone.

ABSTRACT: In the title compound, C10H11N3O2S, the 1,3-benzodioxole and hydrazinecarbothio-amide 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, mol-ecules 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 inter-actions into chains along [101]. There is one additional weak N-H?O contact which, if considered as an inter-action, leads to the formation of a three-dimensional network.

SUBMITTER: de Oliveira AB

PROVIDER: S-EPMC3647843 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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1-(2H-1,3-Benzodioxol-5-yl)ethanone thio-semicarbazone.

de Oliveira Adriano Bof AB de Farias Renan Lira RL Näther Christian C Jess Inke I Bresolin Leandro L

Acta crystallographica. Section E, Structure reports online 20130405 Pt 5

In the title compound, C10H11N3O2S, the 1,3-benzodioxole and hydrazinecarbothio-amide 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, mol-ecules 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 inter-actions into chains along [101]. There is one addit ...[more]

PMID: 23723809

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