Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene
In the title compound, C20H9F21O3, a central sp3-hybridized carbon atom is decorated with three heptafluoro-2-methyloxy(cyclopent-1-ene) arms and a methyl group. The primary packing is determined by C—F...F—C interactions, forming [001] chains, which are consolidated via weaker C—F...F—C and C—H...F...
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International Union of Crystallography
2025-01-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | https://journals.iucr.org/paper?S2056989024011484 |
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| author | Andrew J. Peloquin Gary J. Balaich Abby R. Jennings |
| author_facet | Andrew J. Peloquin Gary J. Balaich Abby R. Jennings |
| author_sort | Andrew J. Peloquin |
| collection | DOAJ |
| description | In the title compound, C20H9F21O3, a central sp3-hybridized carbon atom is decorated with three heptafluoro-2-methyloxy(cyclopent-1-ene) arms and a methyl group. The primary packing is determined by C—F...F—C interactions, forming [001] chains, which are consolidated via weaker C—F...F—C and C—H...F—C contacts. A Hirshfeld surface analysis was conducted to aid in the visualization of these various influences on the packing: this revealed that the largest contribution to the surface contacts arises from F...F interactions (53.5%), followed by F...H/H...F (34.5%) and F...C/C...F (7.1%). |
| format | Article |
| id | doaj-art-89f95706d48548e388d3b7c8db9fb86b |
| institution | Kabale University |
| issn | 2056-9890 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj-art-89f95706d48548e388d3b7c8db9fb86b2025-01-06T09:23:11ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902025-01-01811111410.1107/S2056989024011484hb8112Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopenteneAndrew J. Peloquin0Gary J. Balaich1Abby R. Jennings2Department of Chemistry, United States Air Force Academy, Colorado Springs, CO 80840, USADepartment of Chemistry, United States Air Force Academy, Colorado Springs, CO 80840, USADepartment of Chemistry, United States Air Force Academy, Colorado Springs, CO 80840, USAIn the title compound, C20H9F21O3, a central sp3-hybridized carbon atom is decorated with three heptafluoro-2-methyloxy(cyclopent-1-ene) arms and a methyl group. The primary packing is determined by C—F...F—C interactions, forming [001] chains, which are consolidated via weaker C—F...F—C and C—H...F—C contacts. A Hirshfeld surface analysis was conducted to aid in the visualization of these various influences on the packing: this revealed that the largest contribution to the surface contacts arises from F...F interactions (53.5%), followed by F...H/H...F (34.5%) and F...C/C...F (7.1%).https://journals.iucr.org/paper?S2056989024011484crystal structureperfluorocyclopentenefluorine–fluorine interaction |
| spellingShingle | Andrew J. Peloquin Gary J. Balaich Abby R. Jennings Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene Acta Crystallographica Section E: Crystallographic Communications crystal structure perfluorocyclopentene fluorine–fluorine interaction |
| title | Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene |
| title_full | Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene |
| title_short | Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene |
| title_sort | crystal structure and hirshfeld surface analysis of 1 3 3 4 4 5 5 heptafluoro 2 3 2 3 3 4 4 5 5 heptafluorocyclopenten 1 yl oxy 2 2 3 3 4 4 5 5 heptafluorocyclopenten 1 yl oxy methyl 2 methylpropoxy cyclopentene |
| topic | crystal structure perfluorocyclopentene fluorine–fluorine interaction |
| url | https://journals.iucr.org/paper?S2056989024011484 |
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