Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 10 (October 2003)



HTML versionpdf versioncif file3d viewstructure factorssimilar papers buy article online

Acta Cryst. (2003). C59, o567-o570    [doi:10.1107/S0108270103018961]

Three polymorphs ([alpha], [beta], and [bold delta]) of D-mannitol at 100  K

F. R. Fronczek, H. N. Kamel and M. Slattery

Abstract: In the monoclinic [bold delta] polymorph of D-mannitol, C6H14O6, both the molecule and the packing have approximate twofold rotational symmetry. The P21 structure thus approximates space group C2221, and the [alpha]' polymorph, previously reported in that space group, is almost certainly identical to the [bold delta] polymorph. However, torsion angles along the main backbone of the molecule deviate from twofold symmetry by as much as 7.4  (3)° and the hydrogen-bonding pattern does not conform to the higher symmetry. The [alpha] polymorph reported here is identical to the previously reported [bold kappa] polymorph, and the low-temperature structure of the [beta] polymorph agrees well with previously reported room-temperature determinations. The range of C-O bond lengths over the three polymorphs is 1.428  (2)-1.437  (4)  Å, and the range of C-C distances is 1.515  (4)-1.5406  (19)  Å. The [bold delta] polymorph has the highest density of the three, both at room temperature and at 100  K.

Formula: Three polymorphs of C6H14O6

Online 23 September 2003


hkldisplay filedownload file

Structure factor file (CIF format) (63.6 kbytes)
Contains datablock Alpha


hkldisplay filedownload file

Structure factor file (CIF format) (90.5 kbytes)
Contains datablock Beta


hkldisplay filedownload file

Structure factor file (CIF format) (46.6 kbytes)
Contains datablock Delta


Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.


Copyright © International Union of Crystallography
IUCr Webmaster