Conceição Duarte de Bittencourt Viviane, Carratu Gervini Vanessa, Rosa de Menezes Vicenti Juliano, Maciel Velasques Jecika, Jussiane Zambiazi Priscilla
Escola de Química e Alimentos, Universidade Federal do Rio Grande, Av. Itália, km 08, Campus Carreiros, 96203-900, Rio Grande, RS, Brazil.
Departamento de Química, Universidade Federal de Santa Maria, Av. Roraima, Campus, 97105-900, Santa Maria, RS, Brazil.
Acta Crystallogr Sect E Struct Rep Online. 2014 May 17;70(Pt 6):o666-7. doi: 10.1107/S1600536814010782. eCollection 2014 Jun 1.
The mol-ecule of the title compound, C9H7IN4OS, is almost planar (r.m.s. deviation = 0.0373 Å). In the mol-ecule, N-H⋯N and N-H⋯O hydrogen bonds generate, respectively, S(5) and S(6) ring motifs. In the crystal, mol-ecules are linked via N-H⋯O hydrogen bonds, forming chains propagating along [010]. These chains are linked via S⋯I contacts [3.4915 (16) Å], forming sheets lying parallel to (100). A region of disordered electron density, probably a disordered tetra-hydro-furan solvent mol-ecule, was treated using the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148-155]. The formula mass and unit-cell characteristics were not taken into account during refinement.
标题化合物C9H7IN4OS的分子几乎呈平面状（均方根偏差 = 0.0373 Å）。在分子中，N—H⋯N和N—H⋯O氢键分别产生S(5)和S(6)环模式。在晶体中，分子通过N—H⋯O氢键相连，形成沿[010]方向延伸的链。这些链通过S⋯I接触[3.4915 (16) Å]相连，形成平行于(100)的片层。使用PLATON中的SQUEEZE程序[Spek (2009). Acta Cryst. D65, 148 - 155]处理了一个无序电子密度区域，可能是一个无序的四氢呋喃溶剂分子。在精修过程中未考虑化学式量和晶胞特征。
