Acta Crystallographica Section C

Crystal Structure Communications

Volume 67, Part 5 (May 2011)

organic compounds

bm3104 scheme

Acta Cryst. (2011). C67, o188-o191    [ doi:10.1107/S0108270111012157 ]

(R)-4-(4-Amino­phenyl)-2,2,4-tri­methyl­chroman and (S)-4-(4-amino­phenyl)-2,2,4-trimethyl­thia­chroman

C. S. Frampton, D. D. MacNicol and D. R. Wilson

Abstract: The title compounds, C18H21NO and C18H21NS, in their enantio­merically pure forms are isostructural with the enantio­merically pure 4-(4-hy­droxy­phenyl)-2,2,4-trimethyl­chroman and 4-(2,4-dihy­droxy­phenyl)-2,2,4-trimethyl­chroman analogues and form extended linear chains via N-H...O or N-H...S hydrogen bonding along the [100] direction. The absolute configuration for both compounds was determined by anomalous dispersion methods with reference to both the Flack parameter and, for the light-atom compound, Bayesian statistics on Bijvoet differences.

Formula: C18H21NO and C18H21NS

hkldisplay filedownload file

Structure factor file (CIF format) (149.9 kbytes)
[ doi:10.1107/S0108270111012157/bm3104Isup2.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (141.2 kbytes)
[ doi:10.1107/S0108270111012157/bm3104IIIsup3.hkl ]
Contains datablock III

hkldisplay filedownload file

Structure factor file (CIF format) (148.0 kbytes)
[ doi:10.1107/S0108270111012157/bm3104IVsup4.hkl ]
Contains datablock IV


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