Babar Ayesha, Munawar Munawar Ali, Tahir M Nawaz, Ullah Fateh, Tariq Muhammad Ilyas
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2704. doi: 10.1107/S1600536812035301. Epub 2012 Aug 15.
In the title mol-ecule, C(9)H(6)Cl(2)N(2)S, the mean planes of the benzene and thia-zole rings make a dihedral angle of 54.18 (8)°. In the crystal, mol-ecules are joined into dimers with an R(2) (2)(8) ring motif by pairs of N-H⋯N hydrogen bonds. These dimers are linked by C-H⋯Cl inter-actions into layers parallel to (011). The thia-zole rings form columns along the c-axis direction, with a centroid-centroid separation of 3.8581 (9) Å, indicating π-π inter-actions. An intra-molecular C-H⋯S contact also occurs.
在标题分子C(9)H(6)Cl(2)N(2)S中,苯环和噻唑环的平均平面形成的二面角为54.18 (8)°。在晶体中,分子通过N-H⋯N氢键对以R(2) (2)(8)环模式连接成二聚体。这些二聚体通过C-H⋯Cl相互作用连接成平行于(011)的层。噻唑环沿c轴方向形成柱,质心间距为3.8581 (9) Å,表明存在π-π相互作用。还存在分子内C-H⋯S接触。