Fun Hoong-Kun, Quah Ching Kheng, Abdel-Aziz Hatem A, Attia Mohamed I
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1681. doi: 10.1107/S1600536812019885. Epub 2012 May 12.
In the title compound, C(11)H(9)BrN(4)S, the 1,2,4-triazole ring is essentially planar (r.m.s. deviation = 0.020 Å) and makes a dihedral angle of 29.1 (5)° with the bromo-benzene ring. The 3,6-dihydro-1,3,4-thia-diazine ring adopts a twist-boat conformation. In the crystal, mol-ecules are linked by C-H⋯N inter-actions into sheets lying parallel to the (010) plane. The same N atom accepts two such hydrogen bonds.
在标题化合物C₁₁H₉BrN₄S中，1,2,4 - 三唑环基本呈平面状（均方根偏差 = 0.020 Å），与溴苯环形成29.1(5)°的二面角。3,6 - 二氢 - 1,3,4 - 噻二嗪环呈扭船构象。在晶体中，分子通过C—H⋯N相互作用连接成平行于(010)平面的片层。同一个N原子接受两个这样的氢键。
