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Crystal and molecular structure of quinuclidine betaine hydrochloride studied by X-ray diffraction, DFT, FTIR, and NMR methods

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


Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
556 KB
Volume
929
Category
Article
ISSN
0022-2860

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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

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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

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N,N 0 -Dimethylpiperazine mono-betaine (N-carboxymethyl-N,N 0 -dimethylpiperazinium inner salt, MBPZ) forms a crystalline complex with two molecules of 3-iodobenzoic acid (3IBA). The complex crystallizes as a monohydrate, MBPZ(3IBA) 2 H 2 O. The complex has been characterized by X-ray diffraction an