Acta Crystallographica Section B

Structural Science

Volume 60, Part 4 (August 2004)

Acta Cryst. (2004). B60, 461-471 [doi:10.1107/S0108768104010912]

Supramolecular structures of substituted ,'-trehalose derivatives

T. C. Baddeley, I. G. Davidson, C. Glidewell, J. N. Low, J. M. S. Skakle and J. L. Wardell

Abstract: The structures of five substituted [alpha] , [alpha] '-trehalose trehalose derivatives have been determined, and these are compared with those of four previously published analogues. In 2,2',3,3',4,4'-hexaacetato-6,6'-bis-O-methylsulfonyl- [alpha] , [alpha] '-trehalose, C₂₆H₃₈O₂₁S₂, where the molecules lie across twofold rotation axes in the space group C2, a single C-HO=S hydrogen bond links the molecules into sheets. 2,2',3,3',4,4'-Hexaacetato-6,6'-bis-O-(4-toluenesulfonyl)- [alpha] , [alpha] '-trehalose, C₃₈H₄₆O₂₁S₂, crystallizes with Z' = 2 in the space group P2₁2₁2₁ and a combination of three C-HO hydrogen bonds, each having a carbonyl O atom as an acceptor, and a C-H [bold pi] (arene) hydrogen bond link the molecules into a three-dimensional framework. 2,2',3,3',4,4'-Hexaacetato-6,6'-diazido- [alpha] , [alpha] '-trehalose, C₂₄H₃₂N₆O₁₅, crystallizes as a partial ethanol solvate and three C-HO hydrogen bonds link the substituted trehalose molecules into a three-dimensional framework. In 2,2',3,3'-tetraacetato-6,6'-bis(N-acetylamino)- [alpha] , [alpha] '-trehalose dihydrate, C₂₄H₃₆N₂O₁₅·2H₂O, the substituted trehalose molecules lie across twofold rotation axes in the space group P2₁2₁2 and a three-dimensional framework is generated by the combination of O-HO and N-HO hydrogen bonds. The diaminotrehalose molecules in 6,6'-diamino- [alpha] , [alpha] '-trehalose dihydrate, C₁₂H₂₄N₂O₉.2(H₂O), lie across twofold rotation axes in the space group P4₃2₁2: a single O-HN hydrogen bond links the trehalose molecules into sheets, which are linked into a three-dimensional framework by O-HO hydrogen bonds.

Online 19 July 2004


	Structure factor file (CIF format) (149.6 kbytes) Contains datablock 5

	Structure factor file (CIF format) (697.5 kbytes) Contains datablock 6

	Structure factor file (CIF format) (214.1 kbytes) Contains datablock 7

	Structure factor file (CIF format) (101.7 kbytes) Contains datablock 8

	Structure factor file (CIF format) (57.7 kbytes) Contains datablock 9

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