Kannan D, Bakthadoss M, Lakshmanan D, Murugavel S
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1107. doi: 10.1107/S1600536812010975. Epub 2012 Mar 17.
In the title compound, C(21)H(19)NO(6), the isoindole ring system is essentially planar [maximum deviation = 0.019 (2) Å for the N atom] and is oriented at a dihedral angle of 51.3 (1)° with respect to the benzene ring. The two meth-oxy groups are almost coplanar with the attached benzene ring [C-O-C-C = 3.7 (4) and 4.3 (4)°]. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯O hydrogen bond, which generates an S(9) ring motif. In the crystal, mol-ecules are linked through bifurcated C-H⋯(O,O) hydrogen bonds having R(1) (2)(5) ring motifs, forming chains along the b-axis direction. The crystal packing is further stabilzed by π-π inter-actions [centriod-centroid distance = 3.463 (1) Å].
在标题化合物C₂₁H₁₉NO₆中，异吲哚环系基本呈平面状（N原子的最大偏差为0.019 (2) Å），且相对于苯环的二面角为51.3 (1)°。两个甲氧基与相连的苯环几乎共平面[C - O - C - C = 3.7 (4)°和4.3 (4)°]。分子构象通过分子内C - H⋯O氢键得以稳定，该氢键形成一个S(9)环模式。在晶体中，分子通过具有R(1) (2)(5)环模式的分叉C - H⋯(O,O)氢键相连，沿b轴方向形成链状结构。晶体堆积通过π - π相互作用[质心 - 质心距离 = 3.463 (1) Å]进一步稳定。
