Ahmad Matloob, Siddiqui Hamid Latif, Khan Altaf Hussain, Parvez Masood
Acta Crystallogr Sect E Struct Rep Online. 2010 May 8;66(Pt 6):o1265-6. doi: 10.1107/S1600536810015084.
In the title mol-ecule, C(18)H(17)N(5)O(3)S(2), the heterocyclic thia-zine ring adopts a twist boat conformation, with the S and N atoms displaced by 0.480 (7) and 0.205 (8) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The pyrazole and benzene rings are tilted at an angle of 10.9 (2)° with respect to one another. The crystal structure is stabilized by inter-molecular N-H⋯O and C-H⋯N hydrogen bonds, resulting in dimers forming nine-membered rings of graph-set motif R(2) (2)(9). In addition, inter-molecular C-H⋯O inter-actions result in chains of mol-ecules along the c axis, further consolidating the crystal packing.
在标题分子C(18)H(17)N(5)O(3)S(2)中，杂环噻嗪环呈扭船构象，S和N原子分别在由其余环原子形成的平均平面的相对两侧，位移量分别为0.480 (7) Å和0.205 (8) Å。吡唑环和苯环彼此倾斜10.9 (2)°。晶体结构通过分子间的N-H⋯O和C-H⋯N氢键得以稳定，形成了具有R(2) (2)(9)图式的九元环二聚体。此外，分子间的C-H⋯O相互作用导致分子沿c轴形成链状，进一步巩固了晶体堆积。
