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2-Nitro-p-phenylene bis(toluenesulfonate)
In the molecule of the title compound, C(20)H(17)NO(8)S(2), the two toluene rings are oriented at a dihedral angle of 3.65 (4)°, while the nitrophenyl ring is oriented at dihedral angles of 44.39 (3) and 47.44 (3)° with respect to the toluene rings. An intramolecular C—H⋯O hydrogen bond results in...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960664/ https://www.ncbi.nlm.nih.gov/pubmed/21201792 http://dx.doi.org/10.1107/S1600536808026573 |
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author | Ji, Xiujie Cheng, Bowen Song, Jun Liu, Chao |
author_facet | Ji, Xiujie Cheng, Bowen Song, Jun Liu, Chao |
author_sort | Ji, Xiujie |
collection | PubMed |
description | In the molecule of the title compound, C(20)H(17)NO(8)S(2), the two toluene rings are oriented at a dihedral angle of 3.65 (4)°, while the nitrophenyl ring is oriented at dihedral angles of 44.39 (3) and 47.44 (3)° with respect to the toluene rings. An intramolecular C—H⋯O hydrogen bond results in the formation of a five-membered ring, which adopts an envelope conformation. In the crystal structure, intermolecular C—H⋯O hydrogen bonds link the molecules. There is a π–π contact between the toluene rings [centroid–centroid distance = 4.035 (1) Å]. |
format | Text |
id | pubmed-2960664 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29606642010-12-30 2-Nitro-p-phenylene bis(toluenesulfonate) Ji, Xiujie Cheng, Bowen Song, Jun Liu, Chao Acta Crystallogr Sect E Struct Rep Online Organic Papers In the molecule of the title compound, C(20)H(17)NO(8)S(2), the two toluene rings are oriented at a dihedral angle of 3.65 (4)°, while the nitrophenyl ring is oriented at dihedral angles of 44.39 (3) and 47.44 (3)° with respect to the toluene rings. An intramolecular C—H⋯O hydrogen bond results in the formation of a five-membered ring, which adopts an envelope conformation. In the crystal structure, intermolecular C—H⋯O hydrogen bonds link the molecules. There is a π–π contact between the toluene rings [centroid–centroid distance = 4.035 (1) Å]. International Union of Crystallography 2008-08-23 /pmc/articles/PMC2960664/ /pubmed/21201792 http://dx.doi.org/10.1107/S1600536808026573 Text en © Ji et al. 2008 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 Ji, Xiujie Cheng, Bowen Song, Jun Liu, Chao 2-Nitro-p-phenylene bis(toluenesulfonate) |
title | 2-Nitro-p-phenylene bis(toluenesulfonate) |
title_full | 2-Nitro-p-phenylene bis(toluenesulfonate) |
title_fullStr | 2-Nitro-p-phenylene bis(toluenesulfonate) |
title_full_unstemmed | 2-Nitro-p-phenylene bis(toluenesulfonate) |
title_short | 2-Nitro-p-phenylene bis(toluenesulfonate) |
title_sort | 2-nitro-p-phenylene bis(toluenesulfonate) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960664/ https://www.ncbi.nlm.nih.gov/pubmed/21201792 http://dx.doi.org/10.1107/S1600536808026573 |
work_keys_str_mv | AT jixiujie 2nitropphenylenebistoluenesulfonate AT chengbowen 2nitropphenylenebistoluenesulfonate AT songjun 2nitropphenylenebistoluenesulfonate AT liuchao 2nitropphenylenebistoluenesulfonate |