Overcoming the solvation shell during the crystallisation of diatrizoic acid from dimethylsulfoxide

We present three crystal structures of diatrizoic acid (DTA) DMSO solvates illustrating progressive desolvation of the DTA molecule and concomitant increasing degree of DTA self-association. Using these structures, plausible pathways for overcoming the solvation shell of DTA during its crystallisati...

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2012-12, Vol.48 (99), p.12065-12067
Main Authors: Fucke, Katharina, Howard, Judith A K, Steed, Jonathan W
Format: Article
Language:English
Subjects:
Crystal structure
Crystallization
Crystallography, X-Ray
Diatrizoate - chemistry
Differential thermal analysis
Dimethyl Sulfoxide - chemistry
Hydrogen Bonding
Molecular Conformation
Pathways
Shells
Solvation
Solvents - chemistry
Thermodynamics
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Summary:We present three crystal structures of diatrizoic acid (DTA) DMSO solvates illustrating progressive desolvation of the DTA molecule and concomitant increasing degree of DTA self-association. Using these structures, plausible pathways for overcoming the solvation shell of DTA during its crystallisation from solution are discussed.
ISSN:1359-7345
1364-548X
DOI:10.1039/c2cc35995b