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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...

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Autores principales: Zou, Pei, Luo, Shi-Neng, Xie, Min-Hao, Liu, Ya-Ling, Wu, Jun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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