2,8,9-Tris(2-methyl­prop­yl)-2,5,8,9-tetra­aza-1λ(5)-phosphatricyclo­[3.3.3.0(1,5)]undecan-5-ium chloride dihydrate

The asymmetric unit of the title hydrated salt, C(18)H(40)N(4)P(+)·Cl(−)·2H(2)O, consists of two ionic mol­ecules and four water mol­ecules. The mol­ecular geometry around the penta­coordinate P atom is trigonal–bipyramidal, with a H atom and an apical N atom in axial positions and three N atoms wit...

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Detalles Bibliográficos
Autores principales: Lee, Junseong, Kim, Youngjo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588925/
https://www.ncbi.nlm.nih.gov/pubmed/23476161
http://dx.doi.org/10.1107/S1600536812045618
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author Lee, Junseong
Kim, Youngjo
author_facet Lee, Junseong
Kim, Youngjo
author_sort Lee, Junseong
collection PubMed
description The asymmetric unit of the title hydrated salt, C(18)H(40)N(4)P(+)·Cl(−)·2H(2)O, consists of two ionic mol­ecules and four water mol­ecules. The mol­ecular geometry around the penta­coordinate P atom is trigonal–bipyramidal, with a H atom and an apical N atom in axial positions and three N atoms with isobutyl substituents in equatorial positions. The Cl(−) ions and water mol­ecules are connected via O—H⋯Cl hydrogen bonds, forming chains along [100]. The ethyl­ene bridging groups are disordered with refined site-occupancy ratios of 0.578 (9):0.422 (9).
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spelling pubmed-35889252013-03-08 2,8,9-Tris(2-methyl­prop­yl)-2,5,8,9-tetra­aza-1λ(5)-phosphatricyclo­[3.3.3.0(1,5)]undecan-5-ium chloride dihydrate Lee, Junseong Kim, Youngjo Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title hydrated salt, C(18)H(40)N(4)P(+)·Cl(−)·2H(2)O, consists of two ionic mol­ecules and four water mol­ecules. The mol­ecular geometry around the penta­coordinate P atom is trigonal–bipyramidal, with a H atom and an apical N atom in axial positions and three N atoms with isobutyl substituents in equatorial positions. The Cl(−) ions and water mol­ecules are connected via O—H⋯Cl hydrogen bonds, forming chains along [100]. The ethyl­ene bridging groups are disordered with refined site-occupancy ratios of 0.578 (9):0.422 (9). International Union of Crystallography 2012-11-10 /pmc/articles/PMC3588925/ /pubmed/23476161 http://dx.doi.org/10.1107/S1600536812045618 Text en © Lee and Kim 2012 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
Lee, Junseong
Kim, Youngjo
2,8,9-Tris(2-methyl­prop­yl)-2,5,8,9-tetra­aza-1λ(5)-phosphatricyclo­[3.3.3.0(1,5)]undecan-5-ium chloride dihydrate
title 2,8,9-Tris(2-methyl­prop­yl)-2,5,8,9-tetra­aza-1λ(5)-phosphatricyclo­[3.3.3.0(1,5)]undecan-5-ium chloride dihydrate
title_full 2,8,9-Tris(2-methyl­prop­yl)-2,5,8,9-tetra­aza-1λ(5)-phosphatricyclo­[3.3.3.0(1,5)]undecan-5-ium chloride dihydrate
title_fullStr 2,8,9-Tris(2-methyl­prop­yl)-2,5,8,9-tetra­aza-1λ(5)-phosphatricyclo­[3.3.3.0(1,5)]undecan-5-ium chloride dihydrate
title_full_unstemmed 2,8,9-Tris(2-methyl­prop­yl)-2,5,8,9-tetra­aza-1λ(5)-phosphatricyclo­[3.3.3.0(1,5)]undecan-5-ium chloride dihydrate
title_short 2,8,9-Tris(2-methyl­prop­yl)-2,5,8,9-tetra­aza-1λ(5)-phosphatricyclo­[3.3.3.0(1,5)]undecan-5-ium chloride dihydrate
title_sort 2,8,9-tris(2-methyl­prop­yl)-2,5,8,9-tetra­aza-1λ(5)-phosphatricyclo­[3.3.3.0(1,5)]undecan-5-ium chloride dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588925/
https://www.ncbi.nlm.nih.gov/pubmed/23476161
http://dx.doi.org/10.1107/S1600536812045618
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