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Synthesis and crystal structure of (E)-2-({2-[aza-niumyl-idene(methyl-sulfan-yl)meth-yl]hydrazinyl-idene}meth-yl)benzene-1,4-diol hydrogen sulfate.

ABSTRACT: The title mol-ecular salt, C9H12N3O2S+·HSO4 -, was obtained through the protonation of the azomethine N atom in a sulfuric acid medium. The crystal com-prises two entities, a thio-semicarbazide cation and a hydrogen sulfate anion. The cation is essentially planar and is further stabilized by a strong intra-molecular O-H?N hydrogen bond. In the crystal, a three-dimensional network is established through O-H?O and N-H?O hydrogen bonds. A weak intermolecular C-H?O hydrogen bond is also observed. The hydrogen sulfate anion exhibits disorder over two sets of sites and was modelled with refined occupancies of 0.501?(6) and 0.499?(6).

SUBMITTER: Nehar O 

PROVIDER: S-EPMC6829723 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature

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Synthesis and crystal structure of (<i>E</i>)-2-({2-[aza-niumyl-idene(methyl-sulfan-yl)meth-yl]hydrazinyl-idene}meth-yl)benzene-1,4-diol hydrogen sulfate.

Nehar Oussama O   Louhibi Samira S   Roisnel Thierry T  

Acta crystallographica. Section E, Crystallographic communications 20191029 Pt 11

The title mol-ecular salt, C<sub>9</sub>H<sub>12</sub>N<sub>3</sub>O<sub>2</sub>S<sup>+</sup>·HSO<sub>4</sub> <sup>-</sup>, was obtained through the protonation of the azomethine N atom in a sulfuric acid medium. The crystal com-prises two entities, a thio-semicarbazide cation and a hydrogen sulfate anion. The cation is essentially planar and is further stabilized by a strong intra-molecular O-H⋯N hydrogen bond. In the crystal, a three-dimensional network is established through O-H⋯O and N-H⋯O h  ...[more]

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