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About the polymorphism of [Li(C(4)H(8)O)(3)]I: crystal structures of trigonal and tetra­gonal polymorphs

Two new trigonal and tetra­gonal polymorphs of the title compound, iodido­tris­(tetra­hydro­furan-κO)lithium, are presented, which both include the isolated ion pair Li(THF)(3) (+)·I(−). One Li—I ion contact and three tetra­hydro­furan (THF) mol­ecules complete the tetra­hedral coordination of the l...

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Autores principales: Gärtner, Stefanie, Gärtner, Tobias, Gschwind, Ruth-Maria, Korber, Nikolaus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257418/
https://www.ncbi.nlm.nih.gov/pubmed/25552991
http://dx.doi.org/10.1107/S160053681402529X
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author Gärtner, Stefanie
Gärtner, Tobias
Gschwind, Ruth-Maria
Korber, Nikolaus
author_facet Gärtner, Stefanie
Gärtner, Tobias
Gschwind, Ruth-Maria
Korber, Nikolaus
author_sort Gärtner, Stefanie
collection PubMed
description Two new trigonal and tetra­gonal polymorphs of the title compound, iodido­tris­(tetra­hydro­furan-κO)lithium, are presented, which both include the isolated ion pair Li(THF)(3) (+)·I(−). One Li—I ion contact and three tetra­hydro­furan (THF) mol­ecules complete the tetra­hedral coordination of the lithium cation. The three-dimensional arrangement in the two polymorphs differs notably. In the trigonal structure, the ion pair is located on a threefold rotation axis of space group P-3 and only one THF mol­ecule is present in the asymmetric unit. In the crystal, strands of ion pairs parallel to [001] are observed with an eclipsed conformation of the THF mol­ecules relative to the Li⋯I axis of two adjacent ion pairs. In contrast, the tetra­gonal polymorph shows a much larger unit cell in which all atoms are located on general positions of the space group I4(1) cd. The resulting three-dimensional arrangement shows helical chains of ion pairs parallel to [001]. Apart from van der Waals contacts, no remarkable inter­molecular forces are present between the isolated ion pairs in both structures.
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spelling pubmed-42574182014-12-31 About the polymorphism of [Li(C(4)H(8)O)(3)]I: crystal structures of trigonal and tetra­gonal polymorphs Gärtner, Stefanie Gärtner, Tobias Gschwind, Ruth-Maria Korber, Nikolaus Acta Crystallogr Sect E Struct Rep Online Research Communications Two new trigonal and tetra­gonal polymorphs of the title compound, iodido­tris­(tetra­hydro­furan-κO)lithium, are presented, which both include the isolated ion pair Li(THF)(3) (+)·I(−). One Li—I ion contact and three tetra­hydro­furan (THF) mol­ecules complete the tetra­hedral coordination of the lithium cation. The three-dimensional arrangement in the two polymorphs differs notably. In the trigonal structure, the ion pair is located on a threefold rotation axis of space group P-3 and only one THF mol­ecule is present in the asymmetric unit. In the crystal, strands of ion pairs parallel to [001] are observed with an eclipsed conformation of the THF mol­ecules relative to the Li⋯I axis of two adjacent ion pairs. In contrast, the tetra­gonal polymorph shows a much larger unit cell in which all atoms are located on general positions of the space group I4(1) cd. The resulting three-dimensional arrangement shows helical chains of ion pairs parallel to [001]. Apart from van der Waals contacts, no remarkable inter­molecular forces are present between the isolated ion pairs in both structures. International Union of Crystallography 2014-11-21 /pmc/articles/PMC4257418/ /pubmed/25552991 http://dx.doi.org/10.1107/S160053681402529X Text en © Gärtner et al. 2014 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 Research Communications
Gärtner, Stefanie
Gärtner, Tobias
Gschwind, Ruth-Maria
Korber, Nikolaus
About the polymorphism of [Li(C(4)H(8)O)(3)]I: crystal structures of trigonal and tetra­gonal polymorphs
title About the polymorphism of [Li(C(4)H(8)O)(3)]I: crystal structures of trigonal and tetra­gonal polymorphs
title_full About the polymorphism of [Li(C(4)H(8)O)(3)]I: crystal structures of trigonal and tetra­gonal polymorphs
title_fullStr About the polymorphism of [Li(C(4)H(8)O)(3)]I: crystal structures of trigonal and tetra­gonal polymorphs
title_full_unstemmed About the polymorphism of [Li(C(4)H(8)O)(3)]I: crystal structures of trigonal and tetra­gonal polymorphs
title_short About the polymorphism of [Li(C(4)H(8)O)(3)]I: crystal structures of trigonal and tetra­gonal polymorphs
title_sort about the polymorphism of [li(c(4)h(8)o)(3)]i: crystal structures of trigonal and tetra­gonal polymorphs
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257418/
https://www.ncbi.nlm.nih.gov/pubmed/25552991
http://dx.doi.org/10.1107/S160053681402529X
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