Assessment of halogen-bond induced cocrystallization of 1,3,5-trihalo-2,4,6-trifluorobenzenes with 2,3,5,6-Tetramethylpyrazine
Cocrystallization of each of 1,3,5-trichloro-2,4,6-trifluorobenzene, 1,3,5-tribromo-2,4,6-trifluorobenzene, and 1,3,5-triiodo-2,4,6-trifluorobenzene with 2,3,5,6-tetramethylpyrazine via selected mechanochemical and solution methods is assessed. In lieu of single crystals of suitable quality for stru...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-01-01
|
| Series: | Results in Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211715622000558 |
| _version_ | 1798006295637262336 |
|---|---|
| author | Rama K. El-khawaldeh Shubha S. Gunaga David L. Bryce |
| author_facet | Rama K. El-khawaldeh Shubha S. Gunaga David L. Bryce |
| author_sort | Rama K. El-khawaldeh |
| collection | DOAJ |
| description | Cocrystallization of each of 1,3,5-trichloro-2,4,6-trifluorobenzene, 1,3,5-tribromo-2,4,6-trifluorobenzene, and 1,3,5-triiodo-2,4,6-trifluorobenzene with 2,3,5,6-tetramethylpyrazine via selected mechanochemical and solution methods is assessed. In lieu of single crystals of suitable quality for structure determination via single-crystal X-ray diffraction, powder X-ray diffraction and 13C cross-polarization magic-angle spinning solid-state NMR spectroscopy are used to qualitatively assess halogen-bond induced cocrystal formation. The results suggest a rich polymorphic landscape worthy of further study. |
| first_indexed | 2024-04-11T12:53:41Z |
| format | Article |
| id | doaj.art-2e3b5fbd47fb4771baa0841f5b359535 |
| institution | Directory Open Access Journal |
| issn | 2211-7156 |
| language | English |
| last_indexed | 2024-04-11T12:53:41Z |
| publishDate | 2022-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Chemistry |
| spelling | doaj.art-2e3b5fbd47fb4771baa0841f5b3595352022-12-22T04:23:08ZengElsevierResults in Chemistry2211-71562022-01-014100336Assessment of halogen-bond induced cocrystallization of 1,3,5-trihalo-2,4,6-trifluorobenzenes with 2,3,5,6-TetramethylpyrazineRama K. El-khawaldeh0Shubha S. Gunaga1David L. Bryce2Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario K1N6N5, CanadaDepartment of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario K1N6N5, CanadaCorresponding author.; Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario K1N6N5, CanadaCocrystallization of each of 1,3,5-trichloro-2,4,6-trifluorobenzene, 1,3,5-tribromo-2,4,6-trifluorobenzene, and 1,3,5-triiodo-2,4,6-trifluorobenzene with 2,3,5,6-tetramethylpyrazine via selected mechanochemical and solution methods is assessed. In lieu of single crystals of suitable quality for structure determination via single-crystal X-ray diffraction, powder X-ray diffraction and 13C cross-polarization magic-angle spinning solid-state NMR spectroscopy are used to qualitatively assess halogen-bond induced cocrystal formation. The results suggest a rich polymorphic landscape worthy of further study.http://www.sciencedirect.com/science/article/pii/S2211715622000558Halogen bondPowder X-ray diffractionSolid-state NMRMechanochemistry |
| spellingShingle | Rama K. El-khawaldeh Shubha S. Gunaga David L. Bryce Assessment of halogen-bond induced cocrystallization of 1,3,5-trihalo-2,4,6-trifluorobenzenes with 2,3,5,6-Tetramethylpyrazine Results in Chemistry Halogen bond Powder X-ray diffraction Solid-state NMR Mechanochemistry |
| title | Assessment of halogen-bond induced cocrystallization of 1,3,5-trihalo-2,4,6-trifluorobenzenes with 2,3,5,6-Tetramethylpyrazine |
| title_full | Assessment of halogen-bond induced cocrystallization of 1,3,5-trihalo-2,4,6-trifluorobenzenes with 2,3,5,6-Tetramethylpyrazine |
| title_fullStr | Assessment of halogen-bond induced cocrystallization of 1,3,5-trihalo-2,4,6-trifluorobenzenes with 2,3,5,6-Tetramethylpyrazine |
| title_full_unstemmed | Assessment of halogen-bond induced cocrystallization of 1,3,5-trihalo-2,4,6-trifluorobenzenes with 2,3,5,6-Tetramethylpyrazine |
| title_short | Assessment of halogen-bond induced cocrystallization of 1,3,5-trihalo-2,4,6-trifluorobenzenes with 2,3,5,6-Tetramethylpyrazine |
| title_sort | assessment of halogen bond induced cocrystallization of 1 3 5 trihalo 2 4 6 trifluorobenzenes with 2 3 5 6 tetramethylpyrazine |
| topic | Halogen bond Powder X-ray diffraction Solid-state NMR Mechanochemistry |
| url | http://www.sciencedirect.com/science/article/pii/S2211715622000558 |
| work_keys_str_mv | AT ramakelkhawaldeh assessmentofhalogenbondinducedcocrystallizationof135trihalo246trifluorobenzeneswith2356tetramethylpyrazine AT shubhasgunaga assessmentofhalogenbondinducedcocrystallizationof135trihalo246trifluorobenzeneswith2356tetramethylpyrazine AT davidlbryce assessmentofhalogenbondinducedcocrystallizationof135trihalo246trifluorobenzeneswith2356tetramethylpyrazine |