Nayak Susanta K, Venugopala K N, Govender Thavendran, Kruger Hendrik G, Maguire Glenn E M
Center for Nano Science and Technology@Polimi, Istituto Italiano di Tecnologia, Via Pascoli 70/3-20133 Milan, Italy.
Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):o70. doi: 10.1107/S1600536812049756. Epub 2012 Dec 12.
In the title compound, C21H13BrClNO2S, the dihedral angle between the planes of the benzothia-zole and chloro-phenyl-methanone groups is 71.34 (6)°. In the crystal, weak C-H⋯N hydrogen bonds lead to dimer formation, whereas Br⋯Cl short contacts [3.4966 (11) Å] form infinite chains along the a-axis direction. Further, the C-H⋯O, C-H⋯π and π-π [centroid-centroid distance = 3.865 (2) Å] inter-actions stabilize the three-dimensional network.
在标题化合物C₂₁H₁₃BrClNO₂S中，苯并噻唑平面与氯苯甲酮基团平面之间的二面角为71.34 (6)°。在晶体中，弱的C-H⋯N氢键导致二聚体形成，而Br⋯Cl短接触[3.4966 (11) Å]沿a轴方向形成无限链。此外，C-H⋯O、C-H⋯π和π-π[质心-质心距离 = 3.865 (2) Å]相互作用稳定了三维网络。
