Wang Lei, Shen Yu-Xiang, Dong Jian-Tong, Zhang Man, Fang Qi
School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, People's Republic of China.
State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2013 Dec 14;70(Pt 1):o67. doi: 10.1107/S1600536813033539. eCollection 2014 Jan 1.
There are two independent mol-ecules in the asymmetric unit of the title compound, C10H8INO2, which differ in the degree of planarity. The iodo-indoline-2,3-dione skeleton of mol-ecule 1 is essentially planar [mean deviation = 0.003 (2) Å for the nine non-H atoms of the indoline core, with a maximum deviation of 0.033 (1) Å for the I atom]. The I atom and O atom in the 3-position of mol-ecule 2 deviate by 0.195 (1) and 0.120 (2) Å, respectively, from the least-squares plane through the nine non-H atoms of the indoline core. Mol-ecules 1 and 2 are roughly coplanar, the mean planes through their cores making a dihedral angle of 6.84 (1)°. This coplanarity results in a layer-like structure parallel to (6,11,17) in the crystal, the distance between adjacent least-squares planes through the cores of mol-ecules 1 and 2 being 3.37 (1) Å. In such a layer, mol-ecules 1 and 2 are linked by C-H⋯O hydrogen bonds, forming chains along [11-1]. The chains are further coupled to construct a kind of double-chain structure via I⋯O inter-actions [3.270 (2) Å].
标题化合物C₁₀H₈INO₂的不对称单元中有两个独立分子，它们的平面度不同。分子1的碘代吲哚啉-2,3-二酮骨架基本呈平面状[吲哚啉核心的九个非氢原子的平均偏差为0.003 (2) Å，I原子的最大偏差为0.033 (1) Å]。分子2中3位的I原子和O原子分别偏离通过吲哚啉核心九个非氢原子的最小二乘平面0.195 (1) Å和0.120 (2) Å。分子1和2大致共面，通过它们核心的平均平面形成6.84 (1)°的二面角。这种共面性导致晶体中形成与(6,11,17)平行的层状结构，通过分子1和2核心的相邻最小二乘平面之间的距离为3.37 (1) Å。在这样的一层中，分子1和2通过C-H⋯O氢键相连，沿[11 - 1]形成链状结构。这些链通过I⋯O相互作用[3.270 (2) Å]进一步耦合构建成一种双链结构。
