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2-[(1-{[3-(dimethylazaniumyl)propyl]methylamino}ethylidene)azaniumyl]nonahydro-closo-decaborate dimethyl sulfoxide disolvate
The title compound, 2-B(10)H(9)NH=C(CH(3))N(CH(3))CH(2)CH(2)CH(2)N(CH(3))(2)H·2C(2)H(6)OS or C(8)H(29)B(10)N(3)·2C(2)H(6)OS, is zwitterionic with the negative charge localized on the decaborate cage and the positive charge on the terminal ammonium group. Two molecules of dimethyl sulfoxide (DMSO)...
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/PMC3151893/ https://www.ncbi.nlm.nih.gov/pubmed/21837080 http://dx.doi.org/10.1107/S1600536811020186 |
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author | Getman, Thomas D. Luck, Rudy L. Cienkus, Caitlin |
author_facet | Getman, Thomas D. Luck, Rudy L. Cienkus, Caitlin |
author_sort | Getman, Thomas D. |
collection | PubMed |
description | The title compound, 2-B(10)H(9)NH=C(CH(3))N(CH(3))CH(2)CH(2)CH(2)N(CH(3))(2)H·2C(2)H(6)OS or C(8)H(29)B(10)N(3)·2C(2)H(6)OS, is zwitterionic with the negative charge localized on the decaborate cage and the positive charge on the terminal ammonium group. Two molecules of dimethyl sulfoxide (DMSO) and one molecule of the title compound constitute the asymmetric unit. One DMSO molecule is disordered [ratio 0.739 (3):0.261 (3)]. The bonds and angles within the decaborate cage are within the normal ranges. The amidine fragment of the ligand, which is expected to be planar, is significantly distorted from planarity as exemplified by four torsion angles [B—N—C—C = 8.4 (3), H—N—C—N = 5(2), N—C—N—C = 7.3 (3) and C—C—N—C = 14.8 (3)°] found within this portion of the molecule. The crystal packing consists of head-to-tail-arranged dimers of the title molecule held together by four molecules of DMSO which are attached via strong N—H⋯O and weak C—H⋯O hydrogen bonds. |
format | Online Article Text |
id | pubmed-3151893 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31518932011-08-11 2-[(1-{[3-(dimethylazaniumyl)propyl]methylamino}ethylidene)azaniumyl]nonahydro-closo-decaborate dimethyl sulfoxide disolvate Getman, Thomas D. Luck, Rudy L. Cienkus, Caitlin Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, 2-B(10)H(9)NH=C(CH(3))N(CH(3))CH(2)CH(2)CH(2)N(CH(3))(2)H·2C(2)H(6)OS or C(8)H(29)B(10)N(3)·2C(2)H(6)OS, is zwitterionic with the negative charge localized on the decaborate cage and the positive charge on the terminal ammonium group. Two molecules of dimethyl sulfoxide (DMSO) and one molecule of the title compound constitute the asymmetric unit. One DMSO molecule is disordered [ratio 0.739 (3):0.261 (3)]. The bonds and angles within the decaborate cage are within the normal ranges. The amidine fragment of the ligand, which is expected to be planar, is significantly distorted from planarity as exemplified by four torsion angles [B—N—C—C = 8.4 (3), H—N—C—N = 5(2), N—C—N—C = 7.3 (3) and C—C—N—C = 14.8 (3)°] found within this portion of the molecule. The crystal packing consists of head-to-tail-arranged dimers of the title molecule held together by four molecules of DMSO which are attached via strong N—H⋯O and weak C—H⋯O hydrogen bonds. International Union of Crystallography 2011-06-18 /pmc/articles/PMC3151893/ /pubmed/21837080 http://dx.doi.org/10.1107/S1600536811020186 Text en © Getman 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 Getman, Thomas D. Luck, Rudy L. Cienkus, Caitlin 2-[(1-{[3-(dimethylazaniumyl)propyl]methylamino}ethylidene)azaniumyl]nonahydro-closo-decaborate dimethyl sulfoxide disolvate |
title | 2-[(1-{[3-(dimethylazaniumyl)propyl]methylamino}ethylidene)azaniumyl]nonahydro-closo-decaborate dimethyl sulfoxide disolvate |
title_full | 2-[(1-{[3-(dimethylazaniumyl)propyl]methylamino}ethylidene)azaniumyl]nonahydro-closo-decaborate dimethyl sulfoxide disolvate |
title_fullStr | 2-[(1-{[3-(dimethylazaniumyl)propyl]methylamino}ethylidene)azaniumyl]nonahydro-closo-decaborate dimethyl sulfoxide disolvate |
title_full_unstemmed | 2-[(1-{[3-(dimethylazaniumyl)propyl]methylamino}ethylidene)azaniumyl]nonahydro-closo-decaborate dimethyl sulfoxide disolvate |
title_short | 2-[(1-{[3-(dimethylazaniumyl)propyl]methylamino}ethylidene)azaniumyl]nonahydro-closo-decaborate dimethyl sulfoxide disolvate |
title_sort | 2-[(1-{[3-(dimethylazaniumyl)propyl]methylamino}ethylidene)azaniumyl]nonahydro-closo-decaborate dimethyl sulfoxide disolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151893/ https://www.ncbi.nlm.nih.gov/pubmed/21837080 http://dx.doi.org/10.1107/S1600536811020186 |
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