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In our hands, this model approach has previously been used to successfully probe structure in sulfonated azo colorants, see
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In our hands, this model approach has previously been used to successfully probe structure in sulfonated azo colorants, see: Kennedy, A. R.; Kirkhouse, J. B. A.; McCarney, K. M.; Puissegur, O.; Smith, W. E.; Staunton, E.; Teat, S. J.; Cherryman, J. C.; James, R. Chem.-Eur. J. 2004, 10, 4606
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The acids which gave incomplete groups of structures were p -bromobenzoic acid, p -hydroxybenzoic acid, p -methylbenzoic acid, o -fluorobenzoic acid, o -chlorobenzoic acid, o -methylbenzoic acid, and dihydroxybenzoic acid. The principle reason for failure was that the halo and methyl substituted acid salts tended to form multiple crystals (typically, platelike crystals that stacked together in a misaligned fashion).
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The acids which gave incomplete groups of structures were p -bromobenzoic acid, p -hydroxybenzoic acid, p -methylbenzoic acid, o -fluorobenzoic acid, o -chlorobenzoic acid, o -methylbenzoic acid, and dihydroxybenzoic acid. The principle reason for failure was that the halo and methyl substituted acid salts tended to form multiple crystals (typically, platelike crystals that stacked together in a misaligned fashion).
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Some of the problems with the availability of suitable solubility data sets are summarized in
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Some of the problems with the availability of suitable solubility data sets are summarized in: Llinàs, A.; Glen, R. C.; Goodman, J. M. J. Chem. Inf. Model. 2008, 48, 1289
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