Ji Xiujie, Cheng Bowen, Song Jun, Liu Chao
Acta Crystallogr Sect E Struct Rep Online. 2008 Aug 23;64(Pt 9):o1816. doi: 10.1107/S1600536808026573.
In the mol-ecule of the title compound, C(20)H(17)NO(8)S(2), the two toluene rings are oriented at a dihedral angle of 3.65 (4)°, while the nitrophenyl ring is oriented at dihedral angles of 44.39 (3) and 47.44 (3)° with respect to the toluene rings. An intra-molecular C-H⋯O hydrogen bond results in the formation of a five-membered ring, which adopts an envelope conformation. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules. There is a π-π contact between the toluene rings [centroid-centroid distance = 4.035 (1) Å].
在标题化合物C₂₀H₁₇NO₈S₂的分子中,两个甲苯环以3.65 (4)°的二面角取向,而硝基苯环相对于甲苯环的二面角分别为44.39 (3)°和47.44 (3)°。分子内的C—H⋯O氢键导致形成一个五元环,该五元环呈信封构象。在晶体结构中,分子间的C—H⋯O氢键连接各分子。甲苯环之间存在π-π接触[质心-质心距离 = 4.035 (1) Å]。