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Picture of Dr Sam Motherwell

Dr Sam Motherwell

Cambridge Crystallographic Data Centre, UK

Dr Sam Motherwell first joined the Cambridge Crystallographic Data Centre (CCDC) in 1968 where he worked on the first version of the Cambridge Structural Database as well as being involved with the structural research during that time. He then worked for the Cambridge University Library for a number of years before returning to the CCDC in 1992 and is currently manager of the Research Group based there. His research interests centre on the use of the Cambridge Structural Database in crystal structure prediction and crystal engineering. Data mining using the applications software and knowledge developed by the CCDC is very useful for crystal engineering, particularly in the investigation of structural motifs and their potential synthon applicability. In a recent CrystEngComm paper (Motherwell et al., CrystEngComm, 2004, 584-588) (which was highlighted in Chemical Science (reference to be added)), Motherwell and co-workers analysed the hydrogen bonding motifs formed in sulfonate salts. The robust nature of a particular R2,2(8) motif (bidentate motif) was confirmed and could be predicted to occur with a fair degree of confidence. 


The structure of Form II beta-D-allose forms a helix using a 61 operator, generated by O6...O6 and O3...O1 H-bonds in the short axis direction.

The structure of Form II beta-D-allose forms a helix using a 61 operator, generated by O6...O6 and O3...O1 H-bonds in the short axis direction.


A new, conceptually simple model of crystal packing using packing patterns to describe unit cells in terms of molecular building blocks.

A new, conceptually simple model of crystal packing using packing patterns to describe unit cells in terms of molecular building blocks.


Related Links

Supramolecular synthon competition in organic sulfonates: A CSD survey
Delia A. Haynes, James A. Chisholm, William Jones and W. D. Samuel Motherwell, CrystEngComm, 2004, 6, 584
DOI: 10.1039/b413797c


The crystal structure of an unstable polymorph of -D-allose
P. Arnaud Bonnet, Jacco van de Streek, Andrew V. Trask, W. D. Samuel Motherwell and William Jones, CrystEngComm, 2004, 6, 535
DOI: 10.1039/b412962h


The probable number of hydrogen-bonded contacts for chemical groups in organic crystal structures
Lourdes Infantes and W. D. Sam Motherwell, Chem. Commun., 2004, 1166
DOI: 10.1039/b402939a


Solvent-drop grinding: green polymorph control of cocrystallisation
Andrew V. Trask, W. D. Samuel Motherwell and William Jones, Chem. Commun., 2004, 890
DOI: 10.1039/b400978a


Extended motifs from water and chemical functional groups in organic molecular crystals
Lourdes Infantes, James Chisholm and Sam Motherwell, CrystEngComm, 2003, 5, 480
DOI: 10.1039/b312846f



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