Fun Hoong-Kun, Chia Tze Shyang, Abdel-Aziz Hatem A
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2529. doi: 10.1107/S1600536812032588. Epub 2012 Jul 25.
In the title compound, C(25)H(14)ClN(3)OS(2), the central thio-phene ring [maximum deviation = 0.011 (1) Å] makes dihedral angles of 55.72 (5), 13.36 (5) and 46.77 (4)° with the adjacent chloro-substituted benzene ring, the benzene ring and the 1,3-benzothia-zole ring system [maximum deviation = 0.012 (1) Å], respectively. An intra-molecular C-H⋯S(thienyl) hydrogen bond generates an S(6) ring motif in the mol-ecule. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds into inversion dimers and the dimers are further connected by C-H⋯O hydrogen bonds into tapes running along [100]. Aromatic π-π stacking inter-actions are also observed [centroid-to-centroid distances = 3.6116 (6) and 3.7081 (6) Å].
在标题化合物C₂₅H₁₄ClN₃OS₂中，中心噻吩环[最大偏差 = 0.011 (1) Å]与相邻的氯取代苯环、苯环和1,3 - 苯并噻唑环系[最大偏差 = 0.012 (1) Å]的二面角分别为55.72 (5)°、13.36 (5)°和46.77 (4)°。分子内的C—H⋯S(噻吩基)氢键在分子中形成一个S(6)环模式。在晶体中，分子通过N—H⋯N氢键对连接成反演二聚体，二聚体进一步通过C—H⋯O氢键连接成沿[100]方向延伸的带。还观察到芳香π - π堆积相互作用[质心到质心距离 = 3.6116 (6)和3.7081 (6) Å]。
