Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 6 (June 2013)

organic compounds

Acta Cryst. (2013). C69, 647-650    [ doi:10.1107/S0108270113011852 ]

(2S,3S)-2,6-Di­methyl­heptane-1,3-diol, the oxygenated side chain of 22(S)-hy­droxy­cholestrol, and its synthetic precursor (R)-4-benzyl-3-[(2R,3S)-3-hy­droxy-2,6-di­methyl­hepta­noyl]-1,3-oxazolidin-2-one

O. A. Høgmoen Åstrand, Z. Iqbal, M. Sandberg, E. T. Kase, C. H. Görbitz and P. Rongved

Abstract: (2S,3S)-2,6-Di­methyl­heptane-1,3-diol, C9H20O2, (I), was syn­thesized from the ketone (R)-4-benzyl-3-[(2R,3S)-3-hy­droxy-2,6-di­methyl­heptanoyl]-1,3-oxazolidin-2-one, C19H27NO4, (II), containing C atoms of known chirality. In both structures, strong hydrogen bonds between the hy­droxy groups form tape motifs. The contribution from weaker C-H...O hydrogen bonds is much more evident in the structure of (II), which furthermore contains an example of a direct short Osp3...Csp2 contact that represents a usually unrecognized type of inter­molecular inter­action.

Formula: C9H20O2 and C19H27NO4

hkldisplay filedownload file

Structure factor file (CIF format) (73.4 kbytes)
[ doi:10.1107/S0108270113011852/gz3232Isup2.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (100.7 kbytes)
[ doi:10.1107/S0108270113011852/gz3232IIsup3.hkl ]
Contains datablock II


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