ISIS Neutron and Muon Source Data Journal

Molecular interactions of Paracetamol in solution

Abstract: This is a resubmission of proposal RB1910427, which was granted full beamtime but was discontinued after five years due to difficulties to obtain deuterated compound through the D-lab (including problems due to the fire). Active Pharmaceutical Ingredients (APIs) are frequently delivered to the patient in the solid state as part of an approved dosage form (e.g. tablets, capsules, etc.) Drug compounds tend to crystallise into different crystal forms depending on their environment, one of these influences can be the type of solvent used. We are investigating the factors that lead to the crystallisation of different forms with special interest in comparing molecular interactions in the neet amorphous state (melt) with that in solution. Paracetamol exists in at least three polymorphs (forms I, II and III) with only form III formed from the melt. In a successful proposal we are scheduled to measure paracetamol in the neat melt. We now propose to measure total neutron scattering on SANDALS for paracetamol in DMSO solution to investigate the molecular interactions leading to the crystallisation of form I.

Principal Investigator: Dr Katharina Edkins
Local Contact: Dr Zachary Amato
Experimenter: Dr Terri-Louise Hughes
Experimenter: Mr Alexander Park

DOI: 10.5286/ISIS.E.RB2510363

ISIS Experiment Number: RB2510363

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; (2025): Molecular interactions of Paracetamol in solution, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2510363

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