Search for a Predicted Hydrogen Bonding Motif – A Multidisciplinary Investigation into the Polymorphism of 3-Azabicyclo[3.3.1]nonane-2,4-dione.

The predictions of the crystal structure of 3-azabicyclo[3.3.1]nonane-2,4-dione submitted in the 2001 international blind test of crystal structure prediction (CSP2001) led to the conclusion that crystal structures containing an alternative hydrogen bonded dimer motif were energetically competitive...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 129; no. 12; pp. 3649 - 3658
Main Authors:	Hulme, Ashley T., Johnston, Andrea, Florence, Alastair J., Fernandes, Phillipe, Shankland, Kenneth, Bedford, Cohn T., Welch, Gareth W. A., Sadiq, Ghazala, Haynes, Delia A., Samuel Motherwell, W. D., Tocher, Derek A., Price, Sarah L.
Format:	Article
Published:	American Chemical Society 3/28/2007
Subjects:	Hydrogen bonding Polymorphism (Crystallography) Solution (Chemistry) Diffraction patterns Dimers Fourier transform infrared spectroscopy Physical & theoretical chemistry research
Online Access:	View this record in EBSCOhost