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

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 t...

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Veröffentlicht in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2007-03, Vol.63 (3), p.o169-o172
Hauptverfasser: Gainsford, Graeme J., Baars, Sylvia M., Falshaw, Andrew
Format: Artikel
Sprache:eng
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Zusammenfassung: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—H⋯O hydrogen bonds, with the trihydrate cell expanded to incorporate the additional hydrogen‐bonded water mol­ecules.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270107004416