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Molecular structure of quinuclidine betaine hydrate studied by X-ray diffraction, DFT, FTIR, Raman, NMR methods

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


Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
585 KB
Volume
921
Category
Article
ISSN
0022-2860

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Crystal and molecular structure of the q
✍ Z. Dega-Szafran; A. Katrusiak; M. Szafran πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 952 KB

Quinuclidine betaine (1-carboxymethyl-1-azabicyclo[2.2.2]octane inner salt, QNB) forms a complex with p-hydroxybenzoic acid (HBA) at the 1:1 ratio. The crystals are triclinic, space group P 1, with two symmetry non-equivalent QNBÁHBA complexes linked by a sequence of four O-HÁÁÁO hydrogen bonds into

DABCO mono-betaine hydrate studied by X-
✍ P. BarczyΕ„ski; Z. Dega-Szafran; A. Katrusiak; W. Perdoch; M. Szafran πŸ“‚ Article πŸ“… 2009 πŸ› Elsevier Science 🌐 English βš– 562 KB

A new DABCO mono-betaine (1-carboxymethyl-1,4-diazabicyclo[2.2.2]octane inner salt) has been synthesized. It crystallizes as monohydrate in orthorhombic space group Pmn2 1 . The DABCO mono-betaine and water molecules are located on a mirror plane. The water molecules link DABCO mono-betaine into lin