Bittencourt Viviane C D, Almeida Vitor Y G, Back Davi F, Gervini Vanessa C, de Oliveira Adriano Bof
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 s/n, Campus Universitário, 97105-900 Santa Maria-RS, Brazil.
Acta Crystallogr E Crystallogr Commun. 2015 May 9;71(Pt 6):o383-4. doi: 10.1107/S2056989015008609. eCollection 2015 Jun 1.
In the title compound, C9H7FN4OS, the mol-ecules are almost planar, with an r.m.s. deviation of 0.047 (3) Å from the mean plane defined by the non-H atoms and a maximum deviation of 0.123 (2) Å for the amine N atom. The torsion angle for the N-N-C-S unit is 176.57 (19)°. In the crystal, mol-ecules are linked into inversion dimers via pairs of N-H⋯F hydrogen bonds and, additionally, through N-H⋯O and N-H⋯S hydrogen bonds, building a two-dimensional hydrogen-bond network parallel to the (103) plane. An intra-molecular N-H⋯O inter-action is also observed.
在标题化合物C₉H₇FN₄OS中，分子几乎呈平面状，非氢原子所定义的平均平面的均方根偏差为0.047 (3) Å，胺基N原子的最大偏差为0.123 (2) Å。N-N-C-S单元的扭转角为176.57 (19)°。在晶体中，分子通过N-H⋯F氢键对连接成反演二聚体，此外，还通过N-H⋯O和N-H⋯S氢键形成平行于(103)平面的二维氢键网络。还观察到分子内的N-H⋯O相互作用。
