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摘要:
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 H-1 NMR, C-13 NMR and mass spectroscopy, viz. with R = 2,4,6-trimethylphenyl, (la), 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-trimethylpheny1)- 4,5-dihydro-1H-pyrrole-2,3-dicarboxylate], C36H36N2O10. Theconjugation plane and stability were also studied via quantum chemical calculations.
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来源 :
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
ISSN: 2053-2296
年份: 2014
卷: 70
页码: 965-U195
0 . 8 0 0
JCR@2022
ESI学科: CHEMISTRY;
ESI高被引阀值:258
JCR分区:4
中科院分区:4
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