Open Access3‐Iodo‐2,6‐dinitrotoluene
Author(s) -
Watkin David J.,
Motherwell W. D. S.,
Cooper Richard I.,
Pantos Stefan,
Steadman Oliver I.
Publication year - 2005
Publication title -
acta crystallographica section e
Language(s) - English
Resource type - Journals
ISSN - 1600-5368
DOI - 10.1107/s1600536805024864
Subject(s) - planar , crystal structure , crystallography , group (periodic table) , materials science , chemistry , computer science , computer graphics (images) , organic chemistry
The structure of the title compound, C 7 H 5 IN 2 O 4 , was determined as one of a group of five related compounds, in order to assess its suitability as a test material for the 2004 Cambridge Crystallographic Data Centre `Blind Structure Prediction Test'. The crystal structure consists of columns of nearly planar molecules stacked parallel to the a axis, with an interplanar spacing of 3.478 (3) Å.