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.
Pre-aggregation of 3-hydroxybenzoic acid in solution
Abstract: The pharmaceutical intermediate 3-hydroxybenzoic acid (MHBA) is reported to crystallise in two polymorphs. The stable one is obtained by evaporation from methanol solution, whilst the metastable form can be crystallised by the same technique from acetonitrile. Containing a carboxylic acid moiety and a hydroxy group, MHBA has the possibility to interact differently with hydrogen bond donating solvent (methanol) or hydrogen bond accepting solvents (acetonitril), which is hypothesised to influence the outcome of the crystallisation experiment. Aim of this proposal is to obtain structural information of MHBA in solution made of each solvent by measurements on SANDALS and thus to corroborate this hypothesis
Principal Investigator: Dr Katharina Edkins
DOI: 10.5286/ISIS.E.RB1510105
ISIS Experiment Number: RB1510105
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.61784719 | SANDALS | 13 June 2018 | Download |
| 10.5286/ISIS.E.61002825 | SANDALS | 13 June 2018 | Download |
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; (2015): Pre-aggregation of 3-hydroxybenzoic acid in solution, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1510105
Data is released under the CC-BY-4.0 license.
