Abstract
The molecule of the title compound, C12H15N3O2S, which belongs to the family of thiosemicarbazones, containing an acid group, adopts a semi-closed conformation with an intramolecular N—H⋯N hydrogen bond. In the crystal, molecules are linked by strong N—H⋯O and O—H⋯S hydrogen bonds between the acid group and thiosemicarbazone unit, with one additional intermolecular hydrogen C—H⋯O interaction. These three interactions form R 2 2(8) and a R 2 1(7) rings and the molecules related by the c-glide plane are linked into a zigzag chain along [001].
Highlights
H atoms treated by a mixture of independent and constrained refinement max = 0.30 e Å3
The molecule of the title compound, C12H15N3O2S, which belongs to the family of thiosemicarbazones, containing an acid group, adopts a semi-closed conformation with an intramolecular N—H N hydrogen bond
Financial support was given by the Agencia Española de Cooperación Internacional y Desarrollo (AECID), FEDER
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.30 e Å3. R factor = 0.040; wR factor = 0.114; data-to-parameter ratio = 13.6. The molecule of the title compound, C12H15N3O2S, which belongs to the family of thiosemicarbazones, containing an acid group, adopts a semi-closed conformation with an intramolecular N—H N hydrogen bond. Molecules are linked by strong N—H O and O—H S hydrogen bonds between the acid group and thiosemicarbazone unit, with one additional intermolecular hydrogen C—. R12(7) rings and the molecules related by the c-glide plane are linked into a zigzag chain along [001]
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