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1,2-Diiodo-4,5-dimethyl­benzene

The structure of the title compound, C(8)H(8)I(2), conforms closely to the mm2 symmetry expected for the free mol­ecule and is the first reported structure of a diiodo­dimethyl­benzene. Repulsion by neighboring I atoms and the neighboring methyl groups opposite to them results in a slight elongation...

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Detalles Bibliográficos
Autores principales: Hathaway, Bruce A., Kilgore, Uriah J., Bond, Marcus R.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969782/
https://www.ncbi.nlm.nih.gov/pubmed/21583089
http://dx.doi.org/10.1107/S1600536809016018
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author Hathaway, Bruce A.
Kilgore, Uriah J.
Bond, Marcus R.
author_facet Hathaway, Bruce A.
Kilgore, Uriah J.
Bond, Marcus R.
author_sort Hathaway, Bruce A.
collection PubMed
description The structure of the title compound, C(8)H(8)I(2), conforms closely to the mm2 symmetry expected for the free mol­ecule and is the first reported structure of a diiodo­dimethyl­benzene. Repulsion by neighboring I atoms and the neighboring methyl groups opposite to them results in a slight elongation of the mol­ecule along the approximate twofold rotation axis that bis­ects the ring between the two I atoms. In the extended structure, the mol­ecules form inversion-related pairs which are organized in approximately hexa­gonal close-packed layers and the layers then stacked so that mol­ecules in neighboring layers abut head-to-tail in a manner that optimizes dipole–dipole inter­actions.
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spelling pubmed-29697822010-12-30 1,2-Diiodo-4,5-dimethyl­benzene Hathaway, Bruce A. Kilgore, Uriah J. Bond, Marcus R. Acta Crystallogr Sect E Struct Rep Online Organic Papers The structure of the title compound, C(8)H(8)I(2), conforms closely to the mm2 symmetry expected for the free mol­ecule and is the first reported structure of a diiodo­dimethyl­benzene. Repulsion by neighboring I atoms and the neighboring methyl groups opposite to them results in a slight elongation of the mol­ecule along the approximate twofold rotation axis that bis­ects the ring between the two I atoms. In the extended structure, the mol­ecules form inversion-related pairs which are organized in approximately hexa­gonal close-packed layers and the layers then stacked so that mol­ecules in neighboring layers abut head-to-tail in a manner that optimizes dipole–dipole inter­actions. International Union of Crystallography 2009-05-07 /pmc/articles/PMC2969782/ /pubmed/21583089 http://dx.doi.org/10.1107/S1600536809016018 Text en © Hathaway et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Hathaway, Bruce A.
Kilgore, Uriah J.
Bond, Marcus R.
1,2-Diiodo-4,5-dimethyl­benzene
title 1,2-Diiodo-4,5-dimethyl­benzene
title_full 1,2-Diiodo-4,5-dimethyl­benzene
title_fullStr 1,2-Diiodo-4,5-dimethyl­benzene
title_full_unstemmed 1,2-Diiodo-4,5-dimethyl­benzene
title_short 1,2-Diiodo-4,5-dimethyl­benzene
title_sort 1,2-diiodo-4,5-dimethyl­benzene
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969782/
https://www.ncbi.nlm.nih.gov/pubmed/21583089
http://dx.doi.org/10.1107/S1600536809016018
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