ISIS Neutron and Muon Source Data Journal

Molecular interactions in amorphous paracetamol

Abstract: The appearance of multiple crystal forms is one of the bottlenecks in pharmaceutical formulation. To date the result of a crystallisation experiment cannot be predicted and we do not understand the influence of the amorphous phase (solution or melt) on the crystal form. A lot of attention has been paid to crystallisation from solution, which is currently the standard method in industry, whilst crystallisation from the melt has been widely neglected. However, this crystallisation pathway frequently leads to unique crystal forms that are not accessible through any other route. In this proposal we want to measure the melt phase of paracetamol, which presents the only path to obtain the metastable form III. By using SANDALS to obtain total scattering data and connected EPSR simulations, we will connect the molecular interactions in the melt with those in the crystal structure.

Principal Investigator: Dr Katharina Edkins
Local Contact: Dr Sabrina Gaertner
Experimenter: Dr Silvia Imberti
Experimenter: Miss Zara Nicole Shiels
Experimenter: Dr Abdessamad Kaassis

DOI: 10.5286/ISIS.E.RB1820402

ISIS Experiment Number: RB1820402

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; (2018): Molecular interactions in amorphous paracetamol , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1820402

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