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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...

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Autores principales: Abbassi, Najat, Bassou, Oulemda, Rakib, El Mostapha, Saadi, Mohamed, El Ammari, Lahcen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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