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1-Ethyl-5-iodoindoline-2,3-dione
There are two independent molecules in the asymmetric unit of the title compound, C(10)H(8)INO(2), which differ in the degree of planarity. The iodoindoline-2,3-dione skeleton of molecule 1 is essentially planar [mean deviation = 0.003 (2) Å for the nine non-H atoms of the indoline core, with a m...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914098/ https://www.ncbi.nlm.nih.gov/pubmed/24527003 http://dx.doi.org/10.1107/S1600536813033539 |
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author | Wang, Lei Shen, Yu-Xiang Dong, Jian-Tong Zhang, Man Fang, Qi |
author_facet | Wang, Lei Shen, Yu-Xiang Dong, Jian-Tong Zhang, Man Fang, Qi |
author_sort | Wang, Lei |
collection | PubMed |
description | There are two independent molecules in the asymmetric unit of the title compound, C(10)H(8)INO(2), which differ in the degree of planarity. The iodoindoline-2,3-dione skeleton of molecule 1 is essentially planar [mean deviation = 0.003 (2) Å for the nine non-H atoms of the indoline core, with a maximum deviation of 0.033 (1) Å for the I atom]. The I atom and O atom in the 3-position of molecule 2 deviate by 0.195 (1) and 0.120 (2) Å, respectively, from the least-squares plane through the nine non-H atoms of the indoline core. Molecules 1 and 2 are roughly coplanar, the mean planes through their cores making a dihedral angle of 6.84 (1)°. This coplanarity results in a layer-like structure parallel to (6,11,17) in the crystal, the distance between adjacent least-squares planes through the cores of molecules 1 and 2 being 3.37 (1) Å. In such a layer, molecules 1 and 2 are linked by C—H⋯O hydrogen bonds, forming chains along [11-1]. The chains are further coupled to construct a kind of double-chain structure via I⋯O interactions [3.270 (2) Å]. |
format | Online Article Text |
id | pubmed-3914098 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39140982014-02-13 1-Ethyl-5-iodoindoline-2,3-dione Wang, Lei Shen, Yu-Xiang Dong, Jian-Tong Zhang, Man Fang, Qi Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two independent molecules in the asymmetric unit of the title compound, C(10)H(8)INO(2), which differ in the degree of planarity. The iodoindoline-2,3-dione skeleton of molecule 1 is essentially planar [mean deviation = 0.003 (2) Å for the nine non-H atoms of the indoline core, with a maximum deviation of 0.033 (1) Å for the I atom]. The I atom and O atom in the 3-position of molecule 2 deviate by 0.195 (1) and 0.120 (2) Å, respectively, from the least-squares plane through the nine non-H atoms of the indoline core. Molecules 1 and 2 are roughly coplanar, the mean planes through their cores making a dihedral angle of 6.84 (1)°. This coplanarity results in a layer-like structure parallel to (6,11,17) in the crystal, the distance between adjacent least-squares planes through the cores of molecules 1 and 2 being 3.37 (1) Å. In such a layer, molecules 1 and 2 are linked by C—H⋯O hydrogen bonds, forming chains along [11-1]. The chains are further coupled to construct a kind of double-chain structure via I⋯O interactions [3.270 (2) Å]. International Union of Crystallography 2013-12-14 /pmc/articles/PMC3914098/ /pubmed/24527003 http://dx.doi.org/10.1107/S1600536813033539 Text en © Wang et al. 2014 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 Wang, Lei Shen, Yu-Xiang Dong, Jian-Tong Zhang, Man Fang, Qi 1-Ethyl-5-iodoindoline-2,3-dione |
title | 1-Ethyl-5-iodoindoline-2,3-dione |
title_full | 1-Ethyl-5-iodoindoline-2,3-dione |
title_fullStr | 1-Ethyl-5-iodoindoline-2,3-dione |
title_full_unstemmed | 1-Ethyl-5-iodoindoline-2,3-dione |
title_short | 1-Ethyl-5-iodoindoline-2,3-dione |
title_sort | 1-ethyl-5-iodoindoline-2,3-dione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914098/ https://www.ncbi.nlm.nih.gov/pubmed/24527003 http://dx.doi.org/10.1107/S1600536813033539 |
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