Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 1 (January 2014)

organic compounds

vm2202 scheme

Acta Cryst. (2014). E70, o67    [ doi:10.1107/S1600536813033539 ]


L. Wang, Y.-X. Shen, J.-T. Dong, M. Zhang and Q. Fang

Abstract: There are two independent mol­ecules in the asymmetric unit of the title compound, C10H8INO2, which differ in the degree of planarity. The iodo­indoline-2,3-dione skeleton of mol­ecule 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 mol­ecule 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. Mol­ecules 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 mol­ecules 1 and 2 being 3.37 (1) Å. In such a layer, mol­ecules 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 inter­actions [3.270 (2) Å].

CCDC reference: 976478

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