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5,13-Disulfamoyl-1,9-diazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2(7),3,5,10,12,14-hexaen-1-ium chloride
In the title salt, C(15)H(17)N(4)O(4)S(2) (+)·Cl(−), the chloride anion is disordered over two positions with occupancies of 0.776 (6) and 0.224 (6). The cation adopts an L shape and the dihedral angle between the benzene rings is 82.5 (3)°. In the crystal, inversion dimers of cations linked by pair...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201434/ https://www.ncbi.nlm.nih.gov/pubmed/22064997 http://dx.doi.org/10.1107/S1600536811038189 |
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author | Xu, Yichao Jin, Shouwen Zhu, Jianlong Liu, YingJia Shi, ChuanChuan |
author_facet | Xu, Yichao Jin, Shouwen Zhu, Jianlong Liu, YingJia Shi, ChuanChuan |
author_sort | Xu, Yichao |
collection | PubMed |
description | In the title salt, C(15)H(17)N(4)O(4)S(2) (+)·Cl(−), the chloride anion is disordered over two positions with occupancies of 0.776 (6) and 0.224 (6). The cation adopts an L shape and the dihedral angle between the benzene rings is 82.5 (3)°. In the crystal, inversion dimers of cations linked by pairs of N—H⋯N hydrogen bonds occur, with the bond arising from the protonated N atom. The cationic dimers are linked into chains via the disordered chloride ions by way of N—H⋯Cl hydrogen bonds and N—H⋯O, C—H⋯O and C—H⋯Cl interactions also occur, which help to consolidate the three-dimensional network. |
format | Online Article Text |
id | pubmed-3201434 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32014342011-11-06 5,13-Disulfamoyl-1,9-diazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2(7),3,5,10,12,14-hexaen-1-ium chloride Xu, Yichao Jin, Shouwen Zhu, Jianlong Liu, YingJia Shi, ChuanChuan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(15)H(17)N(4)O(4)S(2) (+)·Cl(−), the chloride anion is disordered over two positions with occupancies of 0.776 (6) and 0.224 (6). The cation adopts an L shape and the dihedral angle between the benzene rings is 82.5 (3)°. In the crystal, inversion dimers of cations linked by pairs of N—H⋯N hydrogen bonds occur, with the bond arising from the protonated N atom. The cationic dimers are linked into chains via the disordered chloride ions by way of N—H⋯Cl hydrogen bonds and N—H⋯O, C—H⋯O and C—H⋯Cl interactions also occur, which help to consolidate the three-dimensional network. International Union of Crystallography 2011-09-30 /pmc/articles/PMC3201434/ /pubmed/22064997 http://dx.doi.org/10.1107/S1600536811038189 Text en © Xu et al. 2011 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 Xu, Yichao Jin, Shouwen Zhu, Jianlong Liu, YingJia Shi, ChuanChuan 5,13-Disulfamoyl-1,9-diazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2(7),3,5,10,12,14-hexaen-1-ium chloride |
title | 5,13-Disulfamoyl-1,9-diazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2(7),3,5,10,12,14-hexaen-1-ium chloride |
title_full | 5,13-Disulfamoyl-1,9-diazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2(7),3,5,10,12,14-hexaen-1-ium chloride |
title_fullStr | 5,13-Disulfamoyl-1,9-diazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2(7),3,5,10,12,14-hexaen-1-ium chloride |
title_full_unstemmed | 5,13-Disulfamoyl-1,9-diazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2(7),3,5,10,12,14-hexaen-1-ium chloride |
title_short | 5,13-Disulfamoyl-1,9-diazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2(7),3,5,10,12,14-hexaen-1-ium chloride |
title_sort | 5,13-disulfamoyl-1,9-diazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2(7),3,5,10,12,14-hexaen-1-ium chloride |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201434/ https://www.ncbi.nlm.nih.gov/pubmed/22064997 http://dx.doi.org/10.1107/S1600536811038189 |
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