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Crystal structure of 5,5′-bis(dimethylamino)-N,N′-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide)
In the title compound, C(29)H(37)N(5)O(4)S(2), two arms substituted with dansyl derivatives are connected to a central tertiary amine, where the dihedral angle between the planes of two dansyl units is 56.39 (4)°. Each arm contains a sulfonamide functional group and both N—H groups in the compound a...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719922/ https://www.ncbi.nlm.nih.gov/pubmed/26870550 http://dx.doi.org/10.1107/S2056989015021714 |
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author | Horne, Toyketa V. Haque, Syed A. Barton, Adrianne Hossain, Md. Alamgir |
author_facet | Horne, Toyketa V. Haque, Syed A. Barton, Adrianne Hossain, Md. Alamgir |
author_sort | Horne, Toyketa V. |
collection | PubMed |
description | In the title compound, C(29)H(37)N(5)O(4)S(2), two arms substituted with dansyl derivatives are connected to a central tertiary amine, where the dihedral angle between the planes of two dansyl units is 56.39 (4)°. Each arm contains a sulfonamide functional group and both N—H groups in the compound are pointed to the same side. The central part of the molecule is disordered over three sets of sites with a refined occupancy ratio of 0.547 (4):0.328 (4):0.125 (3). No intramolecular π–π or hydrogen-bonding interactions are observed. In the crystal, molecules are linked via pairs of N—H⋯O interactions involving the same acceptor atom, forming inversion dimers. In addition, C—H⋯O interactions exist between molecules, providing further stabilization of dimers. |
format | Online Article Text |
id | pubmed-4719922 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47199222016-02-11 Crystal structure of 5,5′-bis(dimethylamino)-N,N′-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide) Horne, Toyketa V. Haque, Syed A. Barton, Adrianne Hossain, Md. Alamgir Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(29)H(37)N(5)O(4)S(2), two arms substituted with dansyl derivatives are connected to a central tertiary amine, where the dihedral angle between the planes of two dansyl units is 56.39 (4)°. Each arm contains a sulfonamide functional group and both N—H groups in the compound are pointed to the same side. The central part of the molecule is disordered over three sets of sites with a refined occupancy ratio of 0.547 (4):0.328 (4):0.125 (3). No intramolecular π–π or hydrogen-bonding interactions are observed. In the crystal, molecules are linked via pairs of N—H⋯O interactions involving the same acceptor atom, forming inversion dimers. In addition, C—H⋯O interactions exist between molecules, providing further stabilization of dimers. International Union of Crystallography 2015-11-21 /pmc/articles/PMC4719922/ /pubmed/26870550 http://dx.doi.org/10.1107/S2056989015021714 Text en © Horne et al. 2015 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 | Data Reports Horne, Toyketa V. Haque, Syed A. Barton, Adrianne Hossain, Md. Alamgir Crystal structure of 5,5′-bis(dimethylamino)-N,N′-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide) |
title | Crystal structure of 5,5′-bis(dimethylamino)-N,N′-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide) |
title_full | Crystal structure of 5,5′-bis(dimethylamino)-N,N′-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide) |
title_fullStr | Crystal structure of 5,5′-bis(dimethylamino)-N,N′-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide) |
title_full_unstemmed | Crystal structure of 5,5′-bis(dimethylamino)-N,N′-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide) |
title_short | Crystal structure of 5,5′-bis(dimethylamino)-N,N′-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide) |
title_sort | crystal structure of 5,5′-bis(dimethylamino)-n,n′-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide) |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719922/ https://www.ncbi.nlm.nih.gov/pubmed/26870550 http://dx.doi.org/10.1107/S2056989015021714 |
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