Structure of the diastereoisomeric salt of (+)-4-o-chloro­phenyl-2-hy­droxy-5,5-di­methyl-2-oxo-1,3,2-dioxa­phosphorinane and (1S,2R)-(+)-α-[(1-methylamino)ethyl]benzyl alcohol

A. M. G. Kok; H. Wynberg; V. Parthasarathi; J. M. M. Smits; P. T.  Beurskens

doi:10.1107/S0108270187091959

Structure of the diastereoisomeric salt of (+)-4-o-chlorophenyl-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinane and (1S,2R)-(+)-α-[(1-methylamino)ethyl]benzyl alcohol

A. M. G. Kok, H. Wynberg, V. Parthasarathi, J. M. M. Smits, P. T. Beurskens

Research output: Contribution to journal › Article › Academic › peer-review

Abstract

C21H29C1NO5P, Mr=441.89, monoclinic, P21, a = 13.8421 (11), b = 8.3808 (6), c = 9.8118 (9)A, B= 99.672 (7) °, v= 1122.1A 3, z = 2, D x = 1.308 Mg m -3. Cu Ka radiation (graphite-crystal monochromator, 2 = 1.54178 A), /~(Cu Ka) = 2.464 mm -1, F(000) = 468, T = 290 K, final conventional R factor=0.043, wR =0.057 for 3259 'observed' reflections and 348 variables. The structure contains phosphorinane cations and ephedrine anions which are linked in a three-dimensional network by N-H...O and O-H...O hydrogen bonds. The phosphorinane ring is in the usual chair conformation. The ephedrine is in the usual extended form. Related 1,3,2-dioxaphosphorinane and ephedrine compounds are compared.

Original language	English
Pages (from-to)	1336-1341
Number of pages	6
Journal	Acta Crystallographica Section C: Crystal Structure Communications
Volume	43
DOIs	https://doi.org/10.1107/S0108270187091959
Publication status	Published - 15-Jul-1987

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Structure of the Diastereoisomeric Salt of (+)-4
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Kok, A. M. G., Wynberg, H., Parthasarathi, V., Smits, J. M. M., & Beurskens, P. T. (1987). Structure of the diastereoisomeric salt of (+)-4-o-chlorophenyl-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinane and (1S,2R)-(+)-α-[(1-methylamino)ethyl]benzyl alcohol. Acta Crystallographica Section C: Crystal Structure Communications, 43, 1336-1341. https://doi.org/10.1107/S0108270187091959

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title = "Structure of the diastereoisomeric salt of (+)-4-o-chlorophenyl-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinane and (1S,2R)-(+)-α-[(1-methylamino)ethyl]benzyl alcohol",

abstract = "C21H29C1NO5P, Mr=441.89, monoclinic, P21, a = 13.8421 (11), b = 8.3808 (6), c = 9.8118 (9)A, B= 99.672 (7) °, v= 1122.1A 3, z = 2, D x = 1.308 Mg m -3. Cu Ka radiation (graphite-crystal monochromator, 2 = 1.54178 A), /~(Cu Ka) = 2.464 mm -1, F(000) = 468, T = 290 K, final conventional R factor=0.043, wR =0.057 for 3259 'observed' reflections and 348 variables. The structure contains phosphorinane cations and ephedrine anions which are linked in a three-dimensional network by N-H...O and O-H...O hydrogen bonds. The phosphorinane ring is in the usual chair conformation. The ephedrine is in the usual extended form. Related 1,3,2-dioxaphosphorinane and ephedrine compounds are compared. ",

author = "Kok, {A. M. G.} and H. Wynberg and V. Parthasarathi and Smits, {J. M. M.} and Beurskens, {P. T.}",

year = "1987",

month = jul,

day = "15",

doi = "10.1107/S0108270187091959",

language = "English",

volume = "43",

pages = "1336--1341",

journal = "Acta Crystallographica Section C: Crystal Structure Communications",

issn = "0108-2701",

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Kok, AMG, Wynberg, H, Parthasarathi, V, Smits, JMM & Beurskens, PT 1987, 'Structure of the diastereoisomeric salt of (+)-4-o-chlorophenyl-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinane and (1S,2R)-(+)-α-[(1-methylamino)ethyl]benzyl alcohol', Acta Crystallographica Section C: Crystal Structure Communications, vol. 43, pp. 1336-1341. https://doi.org/10.1107/S0108270187091959

Structure of the diastereoisomeric salt of (+)-4-o-chlorophenyl-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinane and (1S,2R)-(+)-α-[(1-methylamino)ethyl]benzyl alcohol. / Kok, A. M. G.; Wynberg, H.; Parthasarathi, V. et al.
In: Acta Crystallographica Section C: Crystal Structure Communications, Vol. 43, 15.07.1987, p. 1336-1341.

Research output: Contribution to journal › Article › Academic › peer-review

TY - JOUR

T1 - Structure of the diastereoisomeric salt of (+)-4-o-chlorophenyl-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinane and (1S,2R)-(+)-α-[(1-methylamino)ethyl]benzyl alcohol

AU - Kok, A. M. G.

AU - Wynberg, H.

AU - Parthasarathi, V.

AU - Smits, J. M. M.

AU - Beurskens, P. T.

PY - 1987/7/15

Y1 - 1987/7/15

N2 - C21H29C1NO5P, Mr=441.89, monoclinic, P21, a = 13.8421 (11), b = 8.3808 (6), c = 9.8118 (9)A, B= 99.672 (7) °, v= 1122.1A 3, z = 2, D x = 1.308 Mg m -3. Cu Ka radiation (graphite-crystal monochromator, 2 = 1.54178 A), /~(Cu Ka) = 2.464 mm -1, F(000) = 468, T = 290 K, final conventional R factor=0.043, wR =0.057 for 3259 'observed' reflections and 348 variables. The structure contains phosphorinane cations and ephedrine anions which are linked in a three-dimensional network by N-H...O and O-H...O hydrogen bonds. The phosphorinane ring is in the usual chair conformation. The ephedrine is in the usual extended form. Related 1,3,2-dioxaphosphorinane and ephedrine compounds are compared.

AB - C21H29C1NO5P, Mr=441.89, monoclinic, P21, a = 13.8421 (11), b = 8.3808 (6), c = 9.8118 (9)A, B= 99.672 (7) °, v= 1122.1A 3, z = 2, D x = 1.308 Mg m -3. Cu Ka radiation (graphite-crystal monochromator, 2 = 1.54178 A), /~(Cu Ka) = 2.464 mm -1, F(000) = 468, T = 290 K, final conventional R factor=0.043, wR =0.057 for 3259 'observed' reflections and 348 variables. The structure contains phosphorinane cations and ephedrine anions which are linked in a three-dimensional network by N-H...O and O-H...O hydrogen bonds. The phosphorinane ring is in the usual chair conformation. The ephedrine is in the usual extended form. Related 1,3,2-dioxaphosphorinane and ephedrine compounds are compared.

U2 - 10.1107/S0108270187091959

DO - 10.1107/S0108270187091959

M3 - Article

SN - 0108-2701

VL - 43

SP - 1336

EP - 1341

JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications