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- W2949157847 abstract "Syntheses of benzo[3,4]phenanthro[1,2-b]thiophene, benzo[3,4]phenanthro[2,1-b]thiophene and their 1-methyl analogs are reported as potential constituents of solvent refined coal liquids and for mutagenicity testing. The attempted synthesis of the 13-methyl analogs which gave the 11-methyl isomers is also described. Total assignments of the 1H- and 13C-nmr spectra based on long range optimized heteronuclear protoncarbon two-dimensional chemical shift correlation are reported. Carbon assignments obtained for benzo[3,4]-phenanthro[1,2-b]thiophene using this approach were confirmed with a 125 MHz 13C–13C INADEQUATE spectrum. X-Ray crystal structures were determined for benzo[3,4]phenanthro[1,2-b]thiophene and 1-methyl-benzo[3,4]phenanthro[2,1-b]thiophene. Both molecules were helically distorted from planarity. Close intramolecular contacts between the bay region H1–H13 and ClMe-H13 of 2.03 and 2.28 A, respectively, were responsible for the distortions. There were no close intermolecular contacts of <3.5A. both molecules refined to an R value of <0.05." @default.
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- W2949157847 date "1987-05-12" @default.
- W2949157847 modified "2023-09-28" @default.
- W2949157847 title "ChemInform Abstract: Benzannelated Analogs of Phenanthro(1,2-b)- and (2,1-b)thiophene: Synthesis and Structural Characterization by Two-Dimensional NMR and X-Ray Techniques." @default.
- W2949157847 cites W2001565502 @default.
- W2949157847 doi "https://doi.org/10.1002/chin.198719143" @default.
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