Cargando…

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)...

Descripción completa

Detalles Bibliográficos
Autores principales: Getman, Thomas D., Luck, Rudy L., Cienkus, Caitlin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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
_version_ 1782209680218521600
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
work_keys_str_mv AT getmanthomasd 213dimethylazaniumylpropylmethylaminoethylideneazaniumylnonahydroclosodecaboratedimethylsulfoxidedisolvate
AT luckrudyl 213dimethylazaniumylpropylmethylaminoethylideneazaniumylnonahydroclosodecaboratedimethylsulfoxidedisolvate
AT cienkuscaitlin 213dimethylazaniumylpropylmethylaminoethylideneazaniumylnonahydroclosodecaboratedimethylsulfoxidedisolvate