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Crystal structure of anhydrous δ-D-mannitol

Published online by Cambridge University Press:  06 March 2012

C. E. Botez ,
P. W. Stephens ,
C. Nunes  and
R. Suryanarayanan
C. E. Botez*
Affiliation:
Department of Physics and Astronomy, State University of New York, Stony Brook, New York 11794-3800
P. W. Stephens
Affiliation:
Department of Physics and Astronomy, State University of New York, Stony Brook, New York 11794-3800
C. Nunes
Affiliation:
College of Pharmacy, University of Minnesota, Minneapolis, Minnesota 55455-0342
R. Suryanarayanan
Affiliation:
College of Pharmacy, University of Minnesota, Minneapolis, Minnesota 55455-0342
*
a)Electronic mail: [email protected]
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Abstract

The crystal structure of anhydrous δ-D-mannitol (C6H14O6) was solved from high-resolution synchrotron X-ray powder diffraction data collected on a mixture containing 20% and 80% w/w of β- and δ-D-mannitol, respectively. The direct space simulated annealing program PSSP, and Rietveld analysis employing GSAS were used to determine and refine the structure. The polymorph has monoclinic symmetry, space group P21 with a=5.089 41(5) Å, b=18.2504(2) Å, c=4.917 02(5) Å, and β=118.303(2)°. There is one molecule in the irreducible volume of the unit cell. The pattern of hydrogen bonding is significantly different than the previously known α and β forms.

Type
Technical Articles
Information
Powder Diffraction , Volume 18 , Issue 3 , September 2003 , pp. 214 - 218
Copyright
Copyright © Cambridge University Press 2005

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