Single-Crystal X-ray Diffraction Analysis of Inclusion Complexes of Triflate-Functionalized Pillar[5]arenes with 1,4-Dibromobutane and n-Hexane Guests
Herein, we report the single-crystal X-ray diffraction analysis of supramolecular host–guest systems based on triflate-functionalized pillar[5]arenes and 1,4-dibromobutane or <i>n</i>-hexane. The guest molecule was stabilized inside the pillar[5]arene cavity by C–H⋯<inline-formula>...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-03-01
|
| Series: | Crystals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4352/13/4/593 |
| _version_ | 1797605853107322880 |
|---|---|
| author | Mickey Vinodh Shaima G. Alshammari Talal F. Al-Azemi |
| author_facet | Mickey Vinodh Shaima G. Alshammari Talal F. Al-Azemi |
| author_sort | Mickey Vinodh |
| collection | DOAJ |
| description | Herein, we report the single-crystal X-ray diffraction analysis of supramolecular host–guest systems based on triflate-functionalized pillar[5]arenes and 1,4-dibromobutane or <i>n</i>-hexane. The guest molecule was stabilized inside the pillar[5]arene cavity by C–H⋯<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mi mathvariant="sans-serif">π</mi></semantics></math></inline-formula> and C–H⋯O interactions. These inclusion complexes were further self-assembled into supramolecular networks by various non-bonding interactions such as C-H⋯O, C-H⋯F, Br⋯Br, F⋯F, etc. The intermolecular interactions present in these systems were investigated in detail. One of the supramolecular systems analyzed in this study exhibited intermolecular F⋯F interactions which were operative between the adjacent pillararene rims. It was observed that the type of guest molecule considerably influenced the mutual interactions of pillararene macrocycles and their networking pattern in the crystal. The inclusion complexes were further studied by Hirshfeld surface analysis which not only provided a visual representation of the intermolecular interactions experienced by the systems but gave a quantitative account of these various interactions. |
| first_indexed | 2024-03-11T05:06:57Z |
| format | Article |
| id | doaj.art-610abc1a5ee94ab49e7f13524bc8b357 |
| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-03-11T05:06:57Z |
| publishDate | 2023-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Crystals |
| spelling | doaj.art-610abc1a5ee94ab49e7f13524bc8b3572023-11-17T18:50:46ZengMDPI AGCrystals2073-43522023-03-0113459310.3390/cryst13040593Single-Crystal X-ray Diffraction Analysis of Inclusion Complexes of Triflate-Functionalized Pillar[5]arenes with 1,4-Dibromobutane and n-Hexane GuestsMickey Vinodh0Shaima G. Alshammari1Talal F. Al-Azemi2Department of Chemistry, Kuwait University, P.O. Box 5969, Kuwait City 13060, KuwaitDepartment of Chemistry, Kuwait University, P.O. Box 5969, Kuwait City 13060, KuwaitDepartment of Chemistry, Kuwait University, P.O. Box 5969, Kuwait City 13060, KuwaitHerein, we report the single-crystal X-ray diffraction analysis of supramolecular host–guest systems based on triflate-functionalized pillar[5]arenes and 1,4-dibromobutane or <i>n</i>-hexane. The guest molecule was stabilized inside the pillar[5]arene cavity by C–H⋯<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mi mathvariant="sans-serif">π</mi></semantics></math></inline-formula> and C–H⋯O interactions. These inclusion complexes were further self-assembled into supramolecular networks by various non-bonding interactions such as C-H⋯O, C-H⋯F, Br⋯Br, F⋯F, etc. The intermolecular interactions present in these systems were investigated in detail. One of the supramolecular systems analyzed in this study exhibited intermolecular F⋯F interactions which were operative between the adjacent pillararene rims. It was observed that the type of guest molecule considerably influenced the mutual interactions of pillararene macrocycles and their networking pattern in the crystal. The inclusion complexes were further studied by Hirshfeld surface analysis which not only provided a visual representation of the intermolecular interactions experienced by the systems but gave a quantitative account of these various interactions.https://www.mdpi.com/2073-4352/13/4/593triflate-functionalized pillar[5]areneinclusion complexessupramolecular assemblyF⋯F interactionsHirshfeld surface analysis |
| spellingShingle | Mickey Vinodh Shaima G. Alshammari Talal F. Al-Azemi Single-Crystal X-ray Diffraction Analysis of Inclusion Complexes of Triflate-Functionalized Pillar[5]arenes with 1,4-Dibromobutane and n-Hexane Guests Crystals triflate-functionalized pillar[5]arene inclusion complexes supramolecular assembly F⋯F interactions Hirshfeld surface analysis |
| title | Single-Crystal X-ray Diffraction Analysis of Inclusion Complexes of Triflate-Functionalized Pillar[5]arenes with 1,4-Dibromobutane and n-Hexane Guests |
| title_full | Single-Crystal X-ray Diffraction Analysis of Inclusion Complexes of Triflate-Functionalized Pillar[5]arenes with 1,4-Dibromobutane and n-Hexane Guests |
| title_fullStr | Single-Crystal X-ray Diffraction Analysis of Inclusion Complexes of Triflate-Functionalized Pillar[5]arenes with 1,4-Dibromobutane and n-Hexane Guests |
| title_full_unstemmed | Single-Crystal X-ray Diffraction Analysis of Inclusion Complexes of Triflate-Functionalized Pillar[5]arenes with 1,4-Dibromobutane and n-Hexane Guests |
| title_short | Single-Crystal X-ray Diffraction Analysis of Inclusion Complexes of Triflate-Functionalized Pillar[5]arenes with 1,4-Dibromobutane and n-Hexane Guests |
| title_sort | single crystal x ray diffraction analysis of inclusion complexes of triflate functionalized pillar 5 arenes with 1 4 dibromobutane and n hexane guests |
| topic | triflate-functionalized pillar[5]arene inclusion complexes supramolecular assembly F⋯F interactions Hirshfeld surface analysis |
| url | https://www.mdpi.com/2073-4352/13/4/593 |
| work_keys_str_mv | AT mickeyvinodh singlecrystalxraydiffractionanalysisofinclusioncomplexesoftriflatefunctionalizedpillar5areneswith14dibromobutaneandnhexaneguests AT shaimagalshammari singlecrystalxraydiffractionanalysisofinclusioncomplexesoftriflatefunctionalizedpillar5areneswith14dibromobutaneandnhexaneguests AT talalfalazemi singlecrystalxraydiffractionanalysisofinclusioncomplexesoftriflatefunctionalizedpillar5areneswith14dibromobutaneandnhexaneguests |