Fun Hoong-Kun, Quah Ching Kheng, Munirajasekhar D, Himaja M, Sarojini B K
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2438-9. doi: 10.1107/S1600536812030851. Epub 2012 Jul 14.
The asymmetric unit of the title compound, C(15)H(12)FN(3)S, consists of two independent mol-ecules with comparable geometries. In one mol-ecule, the 1,3-benzothia-zole ring system (r.m.s. deviation = 0.011 Å) forms a dihedral angle of 19.86 (6)° with the phenyl ring. The corresponding r.m.s. deviation and dihedral angle for the other mol-ecule are 0.014 Å and 22.32 (6)°, respectively. In the crystal, mol-ecules are linked via N-H⋯N, C-H⋯F and C-H⋯N hydrogen bonds into a three-dimensional network. The crystal studied was a non-merohedral twin with a refined BASF value of 0.301 (2).
标题化合物C(15)H(12)FN(3)S的不对称单元由两个具有相似几何构型的独立分子组成。在一个分子中，1,3-苯并噻唑环系（均方根偏差 = 0.011 Å）与苯环形成的二面角为19.86 (6)°。另一个分子的相应均方根偏差和二面角分别为0.014 Å和22.32 (6)°。在晶体中，分子通过N-H⋯N、C-H⋯F和C-H⋯N氢键连接成三维网络。所研究的晶体为非等轴孪晶，BASF精修值为0.301 (2)。
