Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 3 (March 2007)

organic compounds

 

Cocrystallization and configurations of myo-inositol-1,2-L-camphor acetals in two crystal structures

G. J. Gainsford, S. M. Baars and A. Falshaw

Abstract: The inositol rings in (1S,2R,3R,4S,5S,6R,7S,8S,11S)-myo-inositol-1,2-camphor acetal {systematic name: (1R,2S,3S,4R,5S,6R)-5,6-[(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,2-diyldioxy]cyclohexane-1,2,3,4-tetrol}, C₁₆H₂₆O₆, and (1R,2S,3S,4R,5R,6S,7R/S,8S,11S)-myo-inositol-1,2-camphor acetal trihydrate {systematic name: (1S,2R,3R,4S,5R,6S)-5,6-[(1S,4S,6R/S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,2-diyldioxy]cyclohexane-1,2,3,4-tetrol trihydrate}, C₁₆H₂₆O₆·3H₂O, adopt flattened chair conformations with the latter crystal containing two stereoisomers in a 0.684 (2):0.316 (2) ratio, similar to that found both in solution and by calculation. Both molecules pack in the crystals in similar two-dimensional layers, utilizing strong O-HO hydrogen bonds, with the trihydrate cell expanded to incorporate the additional hydrogen-bonded water molecules.

Formula: C₁₆H₂₆O₆ and C₁₆H₂₆O₆·3H₂O

	Structure factor file (CIF format) (142.0 kbytes) [ doi:10.1107/S0108270107004416/gz3065Asup2.hkl ] Contains datablock A
	Structure factor file (CIF format) (154.1 kbytes) [ doi:10.1107/S0108270107004416/gz3065Bsup3.hkl ] Contains datablock B

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