Du Hai-Tang, Du Hai-Jun
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 31;64(Pt 8):o1632-3. doi: 10.1107/S1600536808023556.
In the mol-ecule of the title compound, C(28)H(30)N(4)O(8)S(2)·C(2)H(6)O, the benzene ring is oriented at dihedral angles of 38.50 (6) and 5.68 (5)° with respect to the trimethoxy-phenyl rings, while the two trimethoxy-phenyl rings are oriented at a dihedral angle of 44.18 (5)°. Intra-molecular N-H⋯O and N-H⋯S hydrogen bonds result in the formation of non-planar six-, seven- and eight-membered rings. The twisting modes of the two side arms are different [C-N-C-O and C-N-C-N torsion angles = 0.1 (3) and 11.8 (3)°, respectively, in one arm, and 4.6 (3) and -11.5 (3)° in the other]. In the crystal structure, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules.
在标题化合物C₂₈H₃₀N₄O₈S₂·C₂H₆O的分子中,苯环相对于三甲氧基苯基环的二面角为38.50 (6)°和5.68 (5)°,而两个三甲氧基苯基环的二面角为44.18 (5)°。分子内的N - H⋯O和N - H⋯S氢键导致形成非平面的六元、七元和八元环。两个侧臂的扭曲模式不同[在一个臂中,C - N - C - O和C - N - C - N扭转角分别为0.1 (3)°和11.8 (3)°,在另一个臂中为4.6 (3)°和 - 11.5 (3)°]。在晶体结构中,分子间的N - H⋯O和O - H⋯O氢键连接这些分子。