Acta Crystallographica Section C

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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