ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
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.
Public release date: 20 October 2022
Principal Investigator: Dr Katharina Edkins
Experimenter: Dr Silvia Imberti
Local Contact: Dr Sabrina Gaertner
Experimenter: Dr Abdessamad Kaassis
Experimenter: Miss Zara Nicole Shiels
DOI: 10.5286/ISIS.E.RB1820402-3
Parent DOI: 10.5286/ISIS.E.RB1820402
ISIS Experiment Number: RB1820402
Part Number: 3
Date of Experiment: 17 October 2019
Publisher: STFC ISIS Neutron and Muon Source
Data format: RAW/Nexus
Select the data format above to find
out more about it.
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; (2019): Molecular interactions in amorphous paracetamol , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1820402-3
Data is released under the CC-BY-4.0 license.
