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1-Carboxyethylpyridinium-4-carboxylate inner salt studied by X-ray diffraction, DFT calculations, vibrational and NMR spectroscopy

✍ Scribed by P. Barczyński; A. Katrusiak; Z. Dega-Szafran; M. Szafran


Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
855 KB
Volume
937
Category
Article
ISSN
0022-2860

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## Abstract The molecular configuration and crystal structure of solid polycrystalline __N__,__N__′′‐diacetylbiuret (DAB), a potential nitrogen‐rich fertilizer, have been analyzed by a combination of solid‐ and liquid‐state NMR spectroscopy, X‐ray diffraction, and DFT calculations. Initially a pure