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5,11-Ditosyl-5H,11H-dibenzo[b,f][1,5]diazocine-6,12-dione acetic acid hemisolvate
The molecular structure of the title compound, C(28)H(22)N(2)O(6)S(2)·0.5CH(3)COOH, is built up from three fused rings, two six and one eight membered. The eight-membered ring shows a boat conformation and the dihedral angle between the two benzene groups attached thereto is 66.43 (11)°, resulting...
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/PMC3629651/ https://www.ncbi.nlm.nih.gov/pubmed/23634138 http://dx.doi.org/10.1107/S1600536813007903 |
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author | Abbassi, Najat Bassou, Oulemda Rakib, El Mostapha Saadi, Mohamed El Ammari, Lahcen |
author_facet | Abbassi, Najat Bassou, Oulemda Rakib, El Mostapha Saadi, Mohamed El Ammari, Lahcen |
author_sort | Abbassi, Najat |
collection | PubMed |
description | The molecular structure of the title compound, C(28)H(22)N(2)O(6)S(2)·0.5CH(3)COOH, is built up from three fused rings, two six and one eight membered. The eight-membered ring shows a boat conformation and the dihedral angle between the two benzene groups attached thereto is 66.43 (11)°, resulting in a V-shaped geometry. Two tosyl substituents are bound to the N atoms. The planes through the tolyl rings are roughly perpendicular, as indicated by the dihedral angle of 82.44 (12)°. In the crystal, the molecule and its inversion-related symmetry-equivalent are linked to the acetic acid solvent molecule by non-classical O—H⋯O and C—H⋯O hydrogen bonds. Two half-occupied acetic acid solvent molecules are disordered at the same site and linked by a center of symmetry. |
format | Online Article Text |
id | pubmed-3629651 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36296512013-04-30 5,11-Ditosyl-5H,11H-dibenzo[b,f][1,5]diazocine-6,12-dione acetic acid hemisolvate Abbassi, Najat Bassou, Oulemda Rakib, El Mostapha Saadi, Mohamed El Ammari, Lahcen Acta Crystallogr Sect E Struct Rep Online Organic Papers The molecular structure of the title compound, C(28)H(22)N(2)O(6)S(2)·0.5CH(3)COOH, is built up from three fused rings, two six and one eight membered. The eight-membered ring shows a boat conformation and the dihedral angle between the two benzene groups attached thereto is 66.43 (11)°, resulting in a V-shaped geometry. Two tosyl substituents are bound to the N atoms. The planes through the tolyl rings are roughly perpendicular, as indicated by the dihedral angle of 82.44 (12)°. In the crystal, the molecule and its inversion-related symmetry-equivalent are linked to the acetic acid solvent molecule by non-classical O—H⋯O and C—H⋯O hydrogen bonds. Two half-occupied acetic acid solvent molecules are disordered at the same site and linked by a center of symmetry. International Union of Crystallography 2013-03-28 /pmc/articles/PMC3629651/ /pubmed/23634138 http://dx.doi.org/10.1107/S1600536813007903 Text en © Abbassi et al. 2013 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 Abbassi, Najat Bassou, Oulemda Rakib, El Mostapha Saadi, Mohamed El Ammari, Lahcen 5,11-Ditosyl-5H,11H-dibenzo[b,f][1,5]diazocine-6,12-dione acetic acid hemisolvate |
title | 5,11-Ditosyl-5H,11H-dibenzo[b,f][1,5]diazocine-6,12-dione acetic acid hemisolvate |
title_full | 5,11-Ditosyl-5H,11H-dibenzo[b,f][1,5]diazocine-6,12-dione acetic acid hemisolvate |
title_fullStr | 5,11-Ditosyl-5H,11H-dibenzo[b,f][1,5]diazocine-6,12-dione acetic acid hemisolvate |
title_full_unstemmed | 5,11-Ditosyl-5H,11H-dibenzo[b,f][1,5]diazocine-6,12-dione acetic acid hemisolvate |
title_short | 5,11-Ditosyl-5H,11H-dibenzo[b,f][1,5]diazocine-6,12-dione acetic acid hemisolvate |
title_sort | 5,11-ditosyl-5h,11h-dibenzo[b,f][1,5]diazocine-6,12-dione acetic acid hemisolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629651/ https://www.ncbi.nlm.nih.gov/pubmed/23634138 http://dx.doi.org/10.1107/S1600536813007903 |
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