Journal
CRYSTAL GROWTH & DESIGN
Volume 10, Issue 6, Pages 2770-2774Publisher
AMER CHEMICAL SOC
DOI: 10.1021/cg100315u
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Funding
- EPSRC/STFC [EP/F021666]
- Engineering and Physical Sciences Research Council [EP/F021666/2, EP/F021666/1] Funding Source: researchfish
- EPSRC [EP/F021666/2, EP/F021666/1] Funding Source: UKRI
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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.
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