NMR analysis of a series of 1,2-bis(1-R-5-oxo-2,3-dihydro-1H-pyrrol-4-ylidene)ethanes and X-ray crystal structure analysis of the R = mesityl compound
Liu, Q; Song, XQ; Yan, H
| HERO ID | 2902505 |
|---|---|
| In Press | No |
| Year | 2014 |
| Title | NMR analysis of a series of 1,2-bis(1-R-5-oxo-2,3-dihydro-1H-pyrrol-4-ylidene)ethanes and X-ray crystal structure analysis of the R = mesityl compound |
| Authors | Liu, Q; Song, XQ; Yan, H |
| Volume | 70 |
| Issue | Pt 10 |
| Page Numbers | 965-970 |
| Abstract | Four tetramethyl 4,4'-(ethane-1,2-diylidene)bis[1-R-5-oxo-4,5-dihydro-1H-pyrrole-2,3-dicarboxylate] compounds, denoted class (1), are a series of conjugated buta-1,3-dienes substituted with a heterocyclic group. The compounds can be used as dyes and pigments due to their long-range conjugated systems. Four structures were studied using (1)H NMR, (13)C NMR and mass spectroscopy, viz. with R = 2,4,6-trimethylphenyl, (1a), R = cyclohexyl, (1b), R = tert-butyl, (1c), and R = isopropyl, (1d). A detailed discussion is presented regarding the characteristics of the three-dimensional structures based on NMR analysis and the X-ray crystal structure of (1a), namely tetramethyl 4,4'-(ethane-1,2-diylidene)bis[5-oxo-1-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-pyrrole-2,3-dicarboxylate], C36H36N2O10. The conjugation plane and stability were also studied via quantum chemical calculations. |
| Doi | 10.1107/S2053229614020099 |
| Pmid | 25279597 |
| Is Certified Translation | No |
| Dupe Override | No |
| Comments | Journal: Acta crystallographica. Section C, Structural chemistry ISSN: 2053-2296 |
| Is Public | Yes |
| Language Text | English |