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Crystal structure of (E)-2-[1-(1,3-benzodioxol-5-yl)ethyl-idene]-N-ethyl-hydra-zine-1-carbo-thio-amide.

ABSTRACT: In the title compound, C12H15N3O2S, the 1,3-benzdioxole fragment is nearly planar [the maximum deviation being 0.0515?(14)?Å], the N-N-C(=S)-N fragment is also nearly planar [the maximum deviation being 0.0480?(10)?Å], and the dihedral angle between their mean planes is 23.49?(10)°. In the crystal, mol-ecules are linked by pairs of N-H?S hydrogen bonds, forming inversion dimers. The dimers are stacked along the a axis with neighbouring columns having the same direction; however, the mol-ecules show different orientations leading to a centrosymmetric arrangement. In the crystal, the methyl-ene 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.

SUBMITTER: de Oliveira AB

PROVIDER: S-EPMC4350709 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of (E)-2-[1-(1,3-benzodioxol-5-yl)ethyl-idene]-N-ethyl-hydra-zine-1-carbo-thio-amide.

de Oliveira Adriano Bof AB Lira de Farias Renan R Näther Christian C Jess Inke I

Acta crystallographica. Section E, Crystallographic communications 20150228 Pt 3

In the title compound, C12H15N3O2S, the 1,3-benzdioxole fragment is nearly planar [the maximum deviation being 0.0515 (14) Å], the N-N-C(=S)-N fragment is also nearly planar [the maximum deviation being 0.0480 (10) Å], and the dihedral angle between their mean planes is 23.49 (10)°. In the crystal, mol-ecules are linked by pairs of N-H⋯S hydrogen bonds, forming inversion dimers. The dimers are stacked along the a axis with neighbouring columns having the same direction; however, the mol-ecules s ...[more]

PMID: 25844252

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