Tuning proton behavior in a ternary molecular complex

Lynne H Thomas, Nicholas Blagden, Matthias J Gutmann, Andras A Kallay, Andrew Parkin, Colin C Seaton, Chick C Wilson

Research output: Contribution to journalArticlepeer-review

30 Citations (SciVal)


The multicomponent ternary complex of 4-dimethylaminobenzoic acid (4-DABA), 3,5-dinitrobenzoic acid (3,5-DNBA), and 4,4′-bipyridine (BIPY) has been studied by variable temperature X-ray and neutron diffraction. Proton disorder is observed within the 4-DABA homodimers present and quantitatively evaluated from neutron data. The effect of the crystal environment and in particular the pyramidalization of the nitrogen atom within the 4-DABA molecule and the consequential effect on the presence of hydrogen atom disorder are discussed with reference to the previously determined pure 4-DABA structure and the binary cocrystal with 3,5-DNBA.
Original languageEnglish
Pages (from-to)2770-2774
Number of pages5
JournalCrystal Growth and Design
Issue number6
Publication statusPublished - 2010


Dive into the research topics of 'Tuning proton behavior in a ternary molecular complex'. Together they form a unique fingerprint.

Cite this