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- W2062912171 abstract "Fig. 3. The variation of the energy E (in kJ mol -~) with the torsion angle ~0 (H-O-C-H) (o) as calculated by molecular mechanics. by two independent molecules each connected with a water molecule that substitutes for a cyclohexanol molecule. The H-bond scheme in which the donor H atoms are anticlinal appears to be 5.0 kJ mol -~ lower in energy than that with the H atoms in the synclinal conformation. Therefore, also in view of the calculations on the isolated molecule it seems obvious that the failure to detect the hydroxyl-group H-atom positions is due to (dynamic) disorder." @default.
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- W2062912171 date "1987-07-15" @default.
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- W2062912171 title "Stereochemical studies. 122. Structures of two crystal modifications of 5,8-methano-cis-transoid-cis-tetrahydro-4H-3,1-benzoxazine-2(1H)-thione" @default.
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- W2062912171 doi "https://doi.org/10.1107/s0108270187091923" @default.
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