ISIS Neutron and Muon Source Data Journal

High-Pressure Study of the Crystal Structure of Guanidine

Abstract: Guanidine, (NH2)2C=NH, was first synthesised more than 150 years ago and is the prototype of a whole class of compounds which have received considerable attention due to their widespread use in synthetic chemistry, biochemistry and technological applications. The crystal structure of guanidine itself, however, has only been determined within the past five years. Diffraction studies revealed that guanidine crystallises in a large intricate orthorhombic structure containing two independent molecules and sixteen molecules in the unit cell. The main aims of the proposed high-pressure study of deuterated guanidine will be to: i) investigate the phase transition behaviour up to 8 GPa at room temperature, ii) determine the structures of any new phases that may be observed, and iii) establish the variation with pressure of the hydrogen bonding networks within the observed phases.

Principal Investigator: Dr Bill Marshall
Experimenter: Dr David Allan
Experimenter: Dr Richard Jones
Experimenter: Professor Colin Pulham
Experimenter: Dr Craig Bull

DOI: 10.5286/ISIS.E.RB1510617

ISIS Experiment Number: RB1510617

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 Bill Marshall et al; (2015): High-Pressure Study of the Crystal Structure of Guanidine, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1510617

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