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Characterization and Crystal Structure of D‐Mannitol Hemihydrate

The objectives of this study were (i) to isolate and characterize mannitol hydrate, and (ii) to solve its crystal structure from high‐resolution synchrotron X‐ray powder diffraction data. Mannitol hydrate was prepared by freeze‐drying aqueous mannitol solutions (5% w/v) under controlled conditions....

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Bibliographic Details
Published in:Journal of pharmaceutical sciences 2004-11, Vol.93 (11), p.2800-2809
Main Authors: Nunes, Cletus, Suryanarayanan, Raj, Botez, Cristian E., Stephens, Peter W.
Format: Article
Language:English
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Summary:The objectives of this study were (i) to isolate and characterize mannitol hydrate, and (ii) to solve its crystal structure from high‐resolution synchrotron X‐ray powder diffraction data. Mannitol hydrate was prepared by freeze‐drying aqueous mannitol solutions (5% w/v) under controlled conditions. X‐ray powder diffractometry, differential scanning calorimetry, and thermogravimetric analyses indicated that mannitol exists as a hemihydrate (C6H14O6 · 0.5H2O). Synchrotron data were collected on the X3B1 beamline at the National Synchrotron Light Source. The simulated annealing program PSSP was used to solve the structure, which was subsequently refined by Rietveld analysis using the program package GSAS. The compound crystallizes in space group P1, with a = 9.8963 Å, b = 10.5424 Å, c = 4.7860 Å, α = 102.589°, β = 86.092°, and γ = 116.079°. The unit cell contains two dissimilar D‐mannitol molecules and one water molecule, forming a hydrogen bonding pattern significantly different from that seen in the anhydrous polymorphs. © 2004 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 93:2800–2809, 2004
ISSN:0022-3549
0021-9258
1520-6017
1083-351X
DOI:10.1002/jps.20185