ISIS Neutron and Muon Source Data Journal

Interactions between Diatrizoic acid and water in pre-nucleation clusters

Abstract: Crystal polymorphism poses a severe problem for the pharmaceutical industry as it can induce significant changes in the physico-chemical characteristics of the material. This can render a medicine toxic (increased chemical decomposition) or inefficient (lowered solubility). In order to elucidate the factors leading to polymorphism, we propose to continue our investigation into the model substance metha-hydroxybenzoic acid. It is bimorphic with the crystal forms crystallising from different solvents (methanol and acetonitrile). Recent results show that the less stable polymorph can be stabilised by water content of the mother liquor. We would like to measure the compound in methanol solutions (crystallisation of stable polymorph) with two different water concentrations. Measurement on SANDALS will enable us to model the liquid structure and investigate the solute interactions with water.

Principal Investigator: Dr Katharina Edkins
Experimenter: Dr Tilo Seydel
Experimenter: Dr Robert Edkins
Experimenter: Dr Sam Callear [Deactivated]

DOI: 10.5286/ISIS.E.RB1610330

ISIS Experiment Number: RB1610330

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Katharina Edkins et al; (2016): Interactions between Diatrizoic acid and water in pre-nucleation clusters, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1610330

Data is released under the CC-BY-4.0 license.