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Dostęp zamkniętySolid-state structure by X-ray and 13C CP/MAS NMR of new 6-acetyl-8-bromo-5-O-alkylamino-4,7-dimethylcoumarins
| cris.lastimport.scopus | 2024-02-12T19:42:10Z |
| dc.abstract.en | 6-Acetyl-8-bromo-5-[2-(N,N-dimethylamino)ethoxy)-4,7-dimethylcoumarin (1) and 6-acetyl-8-bromo-5-[2-(N,N-diethylamino)ethoxy)-4,7-dimethylcoumarin (2) were synthesized using microwave conditions. Crystal of 1 was investigated using single-crystal X-ray diffraction at 296 K and 100 K. The crystal undergoes reversible order-disorder, temperature-driven phase transition. The high-temperature form contains two molecules in the asymmetric unit of which one moiety is disordered over two sites. The low-temperature phase is fully ordered and contains four molecules in the asymmetric unit. A complexity of the solid form of 1 is with an agreement with recorded C13 CP/MAS NMR spectrum indicating split of signals. The solid-state structures of 1 and 2 derived from 13C CP/MAS NMR spectra were also proposed. |
| dc.affiliation | Uniwersytet Warszawski |
| dc.contributor.author | Ostrowska, Kinga |
| dc.contributor.author | Cichowicz, Grzegorz |
| dc.contributor.author | Dobrzycki, Łukasz |
| dc.contributor.author | Maciejewska, Dorota |
| dc.date.accessioned | 2024-01-26T07:52:41Z |
| dc.date.available | 2024-01-26T07:52:41Z |
| dc.date.issued | 2018 |
| dc.description.finance | Nie dotyczy |
| dc.description.number | 6 |
| dc.description.volume | 29 |
| dc.identifier.doi | 10.1007/S11224-018-1167-4 |
| dc.identifier.issn | 1040-0400 |
| dc.identifier.uri | https://repozytorium.uw.edu.pl//handle/item/120177 |
| dc.identifier.weblink | http://www.springer.com/gp/ |
| dc.language | eng |
| dc.pbn.affiliation | chemical sciences |
| dc.relation.ispartof | Structural Chemistry |
| dc.relation.pages | 1903-1915 |
| dc.rights | ClosedAccess |
| dc.sciencecloud | nosend |
| dc.subject.en | 13C CP/MAS NMR analysis |
| dc.subject.en | Bromohydroxycoumarin |
| dc.subject.en | Microwave-assisted synthesis |
| dc.subject.en | Structure optimization |
| dc.subject.en | X-ray structure |
| dc.title | Solid-state structure by X-ray and 13C CP/MAS NMR of new 6-acetyl-8-bromo-5-O-alkylamino-4,7-dimethylcoumarins |
| dc.type | JournalArticle |
| dspace.entity.type | Publication |