Abdul Rahiman M, Ravikumar G N, Loh Wan-Sin, Razak Ibrahim Abdul
Department of PG Studies in Chemistry, Government Science College, Hassan 573 201, India.
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 13;69(Pt 5):o727. doi: 10.1107/S1600536813008805. Print 2013 May 1.
The asymmetric unit of the title compound, C11H11N5O2S·0.5C4H8O2, contains one 3-(p-tol-yl)sydnone 4-thio-semi-carba-zone mol-ecule and a half mol-ecule of 1,4-dioxane, which lies abount an inversion centre. The sydnone ring is almost planar, with a maximum deviation of 0.002 (1) Å, and forms a dihedral angle of 46.31 (5)° with the benzene ring. In the crystal, the two components are linked into a tape along [01-1] by N-H⋯O and N-H⋯S hydrogen bonds. The crystal structure is further stabilized by C-H⋯O and C-H⋯π inter-actions, forming a three-dimensional network.
标题化合物C11H11N5O2S·0.5C4H8O2的不对称单元包含一个3-(对甲苯基) sydnone 4-硫代半卡巴腙分子和半个1,4-二氧六环分子，该1,4-二氧六环分子位于一个反演中心上。sydnone环几乎是平面的，最大偏差为0.002 (1) Å，并与苯环形成46.31 (5)°的二面角。在晶体中，这两个组分通过N-H⋯O和N-H⋯S氢键沿[01-1]方向连接成一条带。晶体结构通过C-H⋯O和C-H⋯π相互作用进一步稳定，形成三维网络。
