Abstract
A new nitro-octahydrophenanthrenol has been isolated by nitration of a crude 9,10-dihydrophenanthrene, which was identified by nmr and X-ray diffraction analysis. Crystallographic and molecular structure confirmed the compound as therac-(4R*,4aS*,10aS*)-4-Nitro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4a-ol. The crystal was triclinic,\(P\bar 1\),a=10.549(3),b=8.530(3),c=7.131(1)Å, α=107.07(3), β=91.62(3), γ=96.27(4)°. Cyclohexane and cyclohexene rings aretrans-fused and have chair and half-chair conformations, respectively. The molecules are associated by hydrogen bridge between the hydroxyl oxygen and both nitro oxygens.
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Fernández, F., De Lerma, J.L., Perales, A. et al. Molecular structure ofrac-(4R*,4aS*,10aS*)-4-nitro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4a-ol, an unusual by-product of nitration of a crude 9,10-dihydrophenanthrene. J Chem Crystallogr 24, 451–455 (1994). https://doi.org/10.1007/BF01666094
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DOI: https://doi.org/10.1007/BF01666094