Silambarasan V, Srinivasan T, Sivasakthikumaran R, Mohanakrishnan A K, Velmurugan D
CAS in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai-25, India.
Acta Crystallogr Sect E Struct Rep Online. 2012 Dec 1;68(Pt 12):o3408-9. doi: 10.1107/S1600536812047137. Epub 2012 Nov 24.
The asymmetric unit of the title compound, C23H16OS, contains two independent mol-ecules with opposite orientations of the meth-oxy groups bonded to the benzene rings. The napthobenzothiophene group in the two molecules is separated by an average distance of 3.912 Å. In both mol-ecules, the napthobenzothio-phene unit is almost planar, with r.m.s deviations of 0.0522 and 0.0143 Å. The meth-oxy-phenyl ring makes dihedral angles of 67.0 (6)° and 70.4 (6)° with respect to the napthobenzothio-phene ring system in the two mol-ecules. The crystal packing features C-H⋯S, π-π [centroid-centroid distances = 3.666 (10) and 3.658 (10) Å] and C-H⋯π inter-actions, forming a sheet running along the b-axis direction.
标题化合物C23H16OS的不对称单元包含两个独立的分子，与苯环相连的甲氧基具有相反的取向。两个分子中的萘并苯并噻吩基团平均相距3.912 Å。在两个分子中，萘并苯并噻吩单元几乎是平面的，均方根偏差分别为0.0522和0.0143 Å。在两个分子中，甲氧基苯基环与萘并苯并噻吩环系统的二面角分别为67.0 (6)°和70.4 (6)°。晶体堆积具有C—H⋯S、π–π [质心间距 = 3.666 (10) 和3.658 (10) Å] 和C—H⋯π相互作用，形成沿b轴方向延伸的片层结构。
