About the polymorphism of [Li(C4H8O)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 lithium cation. T...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014-12-01
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| Series: | Acta Crystallographica Section E |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053681402529X |
| _version_ | 1798017938334154752 |
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| author | Stefanie Gärtner Tobias Gärtner Ruth-Maria Gschwind Nikolaus Korber |
| author_facet | Stefanie Gärtner Tobias Gärtner Ruth-Maria Gschwind Nikolaus Korber |
| author_sort | Stefanie Gärtner |
| collection | DOAJ |
| 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 I41cd. 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. |
| first_indexed | 2024-04-11T16:15:48Z |
| format | Article |
| id | doaj.art-b1326adc0d0742289351ee25e175050f |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T16:15:48Z |
| publishDate | 2014-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-b1326adc0d0742289351ee25e175050f2022-12-22T04:14:34ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-12-01701255555810.1107/S160053681402529Xwm5091About the polymorphism of [Li(C4H8O)3]I: crystal structures of trigonal and tetragonal polymorphsStefanie Gärtner0Tobias Gärtner1Ruth-Maria Gschwind2Nikolaus Korber3University of Regensburg, Institute of Inorganic Chemistry, Universitätsstrasse 31, 93053 Regensburg, GermanyUniversity of Regensburg, Institute of Organic Chemistry, Universitätsstrasse 31, 93053 Regensburg, GermanyUniversity of Regensburg, Institute of Organic Chemistry, Universitätsstrasse 31, 93053 Regensburg, GermanyUniversity of Regensburg, Institute of Inorganic Chemistry, Universitätsstrasse 31, 93053 Regensburg, GermanyTwo 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 I41cd. 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.http://scripts.iucr.org/cgi-bin/paper?S160053681402529Xcrystal structurepolymorphismTHF solvatelithium complexes |
| spellingShingle | Stefanie Gärtner Tobias Gärtner Ruth-Maria Gschwind Nikolaus Korber About the polymorphism of [Li(C4H8O)3]I: crystal structures of trigonal and tetragonal polymorphs Acta Crystallographica Section E crystal structure polymorphism THF solvate lithium complexes |
| title | About the polymorphism of [Li(C4H8O)3]I: crystal structures of trigonal and tetragonal polymorphs |
| title_full | About the polymorphism of [Li(C4H8O)3]I: crystal structures of trigonal and tetragonal polymorphs |
| title_fullStr | About the polymorphism of [Li(C4H8O)3]I: crystal structures of trigonal and tetragonal polymorphs |
| title_full_unstemmed | About the polymorphism of [Li(C4H8O)3]I: crystal structures of trigonal and tetragonal polymorphs |
| title_short | About the polymorphism of [Li(C4H8O)3]I: crystal structures of trigonal and tetragonal polymorphs |
| title_sort | about the polymorphism of li c4h8o 3 i crystal structures of trigonal and tetragonal polymorphs |
| topic | crystal structure polymorphism THF solvate lithium complexes |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053681402529X |
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