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- W2462862017 abstract "The conformational preferences of N 5 -acyltetrahydro-1,5-benzodiazepines 3-5 have been studied using NMR spectral techniques and semiempirical MO calculations (AMI and PM3 methods). The N 5 -formyl-, N5-acetyl- and N 5 -benzoyl-tetrahydro-2-methyl-2,4-diphenyl -1H-1,5 benzodiazepines 3-5 prefer boat conformations BE with exo orientation of the acyl groups at N5. The X-ray crystal structure of N 5 -acetyl derivative 4 also shows a boat conformation BE with exo orientation of acetyl group at N5. The results obtained from semiempirical MO calculations (AMI and PM3) are in excellent agreement with the results obtained from solution and solid states." @default.
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- W2462862017 date "2006-06-01" @default.
- W2462862017 modified "2023-09-23" @default.
- W2462862017 title "Stereochemistry of N 5 ‑acyltetrahydro‑1,5‑benzodiazepines – NMR spectra and semiempirical MO calculations" @default.
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