title: Overcoming the solvation shell during the crystallisation of diatrizoic acid from dimethylsulfoxide.
abstract: 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.
authors.affiliation: Durham University, South Road, Durham DH1 3LE, UK.
authors.forename: Katharina
authors.initials: K
authors.lastname: Fucke
authors.forename: Judith A K
authors.initials: JA
authors.lastname: Howard
authors.forename: Jonathan W
authors.initials: JW
authors.lastname: Steed
mesh_terms: D018360:Crystallography, X-Ray; D003973:Diatrizoate / Q000737:chemistry*; D004121:Dimethyl Sulfoxide / Q000737:chemistry*; D006860:Hydrogen Bonding; D008968:Molecular Conformation; D012997:Solvents / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D012997:Solvents; D003973:Diatrizoate; D004121:Dimethyl Sulfoxide