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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...

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Autores principales: Xu, Yichao, Jin, Shouwen, Zhu, Jianlong, Liu, YingJia, Shi, ChuanChuan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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