Structures of a pair of diastereomeric salts of ephedrine and fluoro-substituted cyclic phosphoric acid

H. J. B. Slot, F. J. J. Leusen, A. D. van der Haest, F. van Bolhuis

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Samenvatting

(1) Salt of (S)-(-)-5,5-dimethyl-4-omicron-fluorophenyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide and (1S,2R)-(+)-alpha-[(1-methylamino)ethyl]-benzyl alcohol, (+)-C10H16NO+.(-)-C11H13FO4P-, M(r) = 425.436, monoclinic, P2(1), a = 10.122 (1), b = 7.826 (1), c = 13.715 (1) angstrom, beta = 92.99 (1)-degrees, V = 1085.0 (2) angstrom 3, Z = 2, D(x) = 1.302 Mg m-3, Mo K-alpha radiation (graphite monochromator), lambda = 0.71073 angstrom, mu = 0.1599 mm-1, F(000) = 452, T = 130 K, final conventional R = 0.040, wR = 0.042 for 3487 observed unique reflections and 272 variables. (2) Salt of (S)-(-)-5,5-dimethyl-4-omicron-fluorophenyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide and (1R,2S)-(-)-alpha-[(1-methylamino)ethyl]benzyl alcohol, (-)-C10H16NO+.(-)-C11H13FO4P-, M(r) = 425.436, monoclinic, P2(1), a = 9.679 (1), b = 8.115 (1), c = 13.797 (1) angstrom, beta = 98.14 (2)-degrees, V = 1072.8 (2) angstrom 3, Z = 2, D(x) = 1.317 Mg m-3, Mo K-alpha radiation (graphite monochromator), lambda = 0.71073 angstrom, mu = 0.1617 mm-1, F(000) = 452, T = 130 K, final conventional R = 0.041, wR = 0.043 for 3117 observed unique reflections and 272 variables. For both (1) and (2), the phosphorinane ring is in the usual chair conformation and the ephedrine is in the usual extended form. The crystal packings of (1) and (2) can be regarded as chains parallel to the b axis consisting of phosphorinane and ephedrine linked by hydrogen bonds. (1) and (2) are isostructural; only minor differences in the packing of the ephedrine phenyl moieties are observed.
Originele taal-2English
Pagina's (van-tot)587-590
Aantal pagina's4
TijdschriftActa Crystallographica Section C: Crystal Structure Communications
Volume48
DOI's
StatusPublished - 15-mrt-1992

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