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Dimethyl 5-amino-2,4,6-triiodoisophthalate
The title compound, C(10)H(8)I(3)NO(4), crystallizes with two molecules in the asymmetric unit. The I atoms and the benzene ring plane in the two molecules are approximately coplanar, the I atoms deviating by −0.1631 (1), 0.0704 (1) and −0.0507 (1) Å from the mean plane of the benzene ring in one...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979769/ https://www.ncbi.nlm.nih.gov/pubmed/21579785 http://dx.doi.org/10.1107/S1600536810001005 |
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author | Zou, Pei Luo, Shi-Neng Xie, Min-Hao Liu, Ya-Ling Wu, Jun |
author_facet | Zou, Pei Luo, Shi-Neng Xie, Min-Hao Liu, Ya-Ling Wu, Jun |
author_sort | Zou, Pei |
collection | PubMed |
description | The title compound, C(10)H(8)I(3)NO(4), crystallizes with two molecules in the asymmetric unit. The I atoms and the benzene ring plane in the two molecules are approximately coplanar, the I atoms deviating by −0.1631 (1), 0.0704 (1) and −0.0507 (1) Å from the mean plane of the benzene ring in one molecule and by 0.1500 (1), −0.0034 (1) and −0.1213 (1) Å in the other. The planes of the ester groups are almost orthogonal to those of the benzene rings in both molecules, forming dihedral angles of 83.5 (3), 76.4 (3), 97.3 (1) and 75.7 (1)°. The mean planes of the benzene rings in two molecules are inclined at 69.8 (3)° with respect to each other. In the crystal, intermolecular I⋯O interactions link the molecules into infinite chains. In addition, N—H⋯O and non-classical C—H⋯O hydrogen bonds are observed. |
format | Text |
id | pubmed-2979769 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29797692010-12-30 Dimethyl 5-amino-2,4,6-triiodoisophthalate Zou, Pei Luo, Shi-Neng Xie, Min-Hao Liu, Ya-Ling Wu, Jun Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(10)H(8)I(3)NO(4), crystallizes with two molecules in the asymmetric unit. The I atoms and the benzene ring plane in the two molecules are approximately coplanar, the I atoms deviating by −0.1631 (1), 0.0704 (1) and −0.0507 (1) Å from the mean plane of the benzene ring in one molecule and by 0.1500 (1), −0.0034 (1) and −0.1213 (1) Å in the other. The planes of the ester groups are almost orthogonal to those of the benzene rings in both molecules, forming dihedral angles of 83.5 (3), 76.4 (3), 97.3 (1) and 75.7 (1)°. The mean planes of the benzene rings in two molecules are inclined at 69.8 (3)° with respect to each other. In the crystal, intermolecular I⋯O interactions link the molecules into infinite chains. In addition, N—H⋯O and non-classical C—H⋯O hydrogen bonds are observed. International Union of Crystallography 2010-01-16 /pmc/articles/PMC2979769/ /pubmed/21579785 http://dx.doi.org/10.1107/S1600536810001005 Text en © Zou et al. 2010 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 Zou, Pei Luo, Shi-Neng Xie, Min-Hao Liu, Ya-Ling Wu, Jun Dimethyl 5-amino-2,4,6-triiodoisophthalate |
title | Dimethyl 5-amino-2,4,6-triiodoisophthalate |
title_full | Dimethyl 5-amino-2,4,6-triiodoisophthalate |
title_fullStr | Dimethyl 5-amino-2,4,6-triiodoisophthalate |
title_full_unstemmed | Dimethyl 5-amino-2,4,6-triiodoisophthalate |
title_short | Dimethyl 5-amino-2,4,6-triiodoisophthalate |
title_sort | dimethyl 5-amino-2,4,6-triiodoisophthalate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979769/ https://www.ncbi.nlm.nih.gov/pubmed/21579785 http://dx.doi.org/10.1107/S1600536810001005 |
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