3-Iodo-2,6-dinitrotoluene

The structure of the title compound, C7H5IN 2O4, 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 column...

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Bibliographic Details
Main Authors: Watkin, D, Motherwell, W, Cooper, R, Pantos, S, Steadman, O
Format: Journal article
Language:English
Published: 2005
Description
Summary:The structure of the title compound, C7H5IN 2O4, 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. © 2005 International Union of Crystallography Printed in Great Britain - all rights reserved.