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- W2040571577 abstract "Abstract A single-crystal pulsed neutron diffraction study of p-hydroxyacetanilide (the analgesic Paracetamol, C8H9NO2) was carried out at 100 K. The structure, in good agreement with previous X-ray determination, is monoclinic, space group P2 1 a , a = 12.763(6), b = 9.250(4), c = 7.082(2) A , β = 115.52(3)°, Dx = 1.34 g cm−3, Z = 4. The present neutron data allowed full anisotropic refinement of all atoms including the hydrogens, yielding an agreement factor wR(F) = 0.063, for 2882 unique reflections and 181 refined parameters. Large, very anisotropic thermal ellipsoids are found on the methyl group hydrogen atoms; librational analysis was carried out along with attempts to model possible disorder associated with these large thermal vibrations." @default.
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- W2040571577 date "1997-03-01" @default.
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- W2040571577 title "Neutron diffraction of p-hydroxyacetanilide (Paracetamol): libration or disorder of the methyl group at 100 K" @default.
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- W2040571577 doi "https://doi.org/10.1016/s0022-2860(96)09593-2" @default.
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