6-Iodo-1H-indole-2,3-dione

The molecule of the title compound, C8H4INO2, is almost planar, having an r.m.s. deviation from planarity of 0.019 Å for all non-H atoms. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R22(8) ring motif. The dimers are further linked by I.....

Full description

Bibliographic Details
Main Authors: James A. Golen, David R. Manke
Format: Article
Language:English
Published: International Union of Crystallography 2016-04-01
Series:IUCrData
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2414314616007008
Description
Summary:The molecule of the title compound, C8H4INO2, is almost planar, having an r.m.s. deviation from planarity of 0.019 Å for all non-H atoms. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R22(8) ring motif. The dimers are further linked by I...O close contacts of 3.078 (2) Å, forming chains along [10-1]. The nine-membered fused rings of the isatin molecules stack along the b axis, with parallel slipped π–π interactions [intercentroid distance = 3.594 (2) Å, interplanar distance = 3.379 (1) Å and slippage = 1.243 Å]. These interactions lead to the formation of a three-dimensional network.
ISSN:2414-3146