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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: botez@bnl.gov
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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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References

Berman, H. M., Jeffrey, G. A., and Rosenstein, R. D. (1968). “The crystal structures of the α′ and β forms of D-mannitol,” Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. ACBCAR 24, 442–449. acb, ACBCAR Google Scholar
Burger, A., Henk, J-O., Hetz, S., Rollinger, J. M., Weissnicht, A. A., and Stötner, H. (2000). “Energy/temperature diagram and compression behavior of the polymorphs of D-mannitol,” J. Pharm. Sci. JPMSAE 89, 457–468. jmk, JPMSAE 3.0.CO;2-G>CrossRefGoogle ScholarPubMed
David, W. I. F., Shankland, K., and Shankland, N. (1998). “Routine determination of molecular crystal structures from powder diffraction data,” Chem. Commun. (Cambridge) CHCOFS 8, 931–932. ccg, CHCOFS CrossRefGoogle Scholar
Finger, L. W., Cox, D. E., and Jephcoat, A. P. (1994). “A correction for powder diffraction peak asymmetry due to axial divergence,” J. Appl. Crystallogr. JACGAR 27, 892–900. acr, JACGAR Google Scholar
Groth, P. (1910). Chemische Krystallographie, Driter Teil, Alipathische und Hydroaromatische Kohlenstoffverbindungen (Verlag von Wilhelm Engelmann, Leipzig), pp. 431–432. (Citation from Burger et al.)Google Scholar
Kim, H. S., Jeffrey, G. A., and Rosenstein, R. D. (1968). “The crystal structure of the K form of D-mannitol,” Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. ACBCAR 24, 1449–1455. acb, ACBCAR Google Scholar
Larson, A. C., and Von Dreele, R. B. (1987). Program GSAS, General Structure Analysis System (Los Alamos National Laboratory Report No. LA-UR-86-784, Los Alamos). Program and documentation available from http://public.lanl.gov/gsas.Google Scholar
Le Bail, A., Duroy, H., and Fourquet, J. L. (1988). “The ab-initio structure determination of lithium antimony tungstate (LiSbWO6) by X-ray powder diffraction,” Mater. Res. Bull. MRBUAC 23, 447–452. mrb, MRBUAC Google Scholar
Pagola, S., Stephens, P. W., Bohle, D. S., Kosar, A. D., and Madsen, S. K. (2000). “The structure of malaria pigment, β-haematin,” Nature (London) NATUAS 404, 307–310. Program and documentation available from http://powder.physics.sunysb.edu. nat, NATUAS Google Scholar
Rodriguez-Carvajal, J. (1990). “FULLPROF, a program for Rietveld refinement and pattern matching analysis,” Abstracts of the Powder Diffraction Meeting, Toulouse, France, pp. 127–128. Program and documentation available from http://www-llb.cea.fr/fullweb/fullprof.htm.Google Scholar
Thompson, P., Cox, D. E., and Hastings, J. B. (1987). “Rietveld refinement of Debye-Scherrer synchrotron X-ray data from Al2O3” J. Appl. Crystallogr. JACGAR 20, 79–83. acr, JACGAR CrossRefGoogle Scholar
Walter-Levi, L.(1968). “Cristallochimie-Sur les variétés cristallines du D-mannitol,” C. R. Acad. Sci Paris Ser. C 267, 1779–1782.Google Scholar
Yu, L., Milton, N., Groleau, E. G., Mishra, D. S., and Vansickle, R. E. (1999). “Existence of a mannitol hydrate during freeze-drying and practical implications,” J. Pharm. Sci. JPMSAE 88, 196–198. jmk, JPMSAE CrossRefGoogle ScholarPubMed