de Oliveira Adriano Bof, de Farias Renan Lira, Näther Christian, Jess Inke, Bresolin Leandro
Departamento de Química, Universidade Federal de Sergipe, Av. Marechal Rondon s/n, Campus, 49100-000 São Cristóvão-SE, Brazil.
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 5;69(Pt 5):o644. doi: 10.1107/S1600536813008398. Print 2013 May 1.
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.
在标题化合物C₁₀H₁₁N₃O₂S中，1,3 - 苯并二恶唑和肼基甲硫酰胺片段近乎平面[非H原子的平面度平均偏差分别为0.0325 (12) Å和0.0707 (10) Å]，且二面角为29.06 (5)°。在晶体中，分子通过几乎呈线性的N - H⋯S氢键对相连，形成反演二聚体。这些二聚体还通过较弱且强烈弯曲的N - H⋯S相互作用沿[101]方向连接成链。还有一个额外的弱N - H⋯O接触，如果将其视为一种相互作用，则会导致形成三维网络。
