Product Details of 3235-67-4. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 1-Piperidineacetic Acid, is researched, Molecular C7H13NO2, CAS is 3235-67-4, about Molecular structure of the unusual complex of 1-piperidineacetic acid with 2,4,6-trinitrophenol studied by X-ray, FTIR and 1H, 13C and 13C CP MAS NMR. Author is Dega-Szafran, Z.; Dutkiewicz, G.; Kosturkiewicz, Z.; Petryna, M..
Crystals containing three kinds of mols. 1-piperidiniumacetate (II), 1-piperidiniumacetic acid (III) and 2,4,6-trinitrophenolate (picrate, TNP-), belong to the monoclinic system, space group P21/c and Z=4, a=12.831(3), b=26.093(5), c=7.157(1) Å, β=101.18(3)°, R=0.0758. The zwitterion mol. (II) is a double acceptor of protons from two mols. of 1-piperidiniumacetic acid (III) (N-H···O, 2.735(5) Å and O-H···O, 2.472(5) Å), and a donor of proton to the picrate mol. (N-H···O, 2.747(5) Å). These three mols., which have three donor centers and several acceptor groups, form hydrogen-bonded chains parallel to the z axis. The oxygen atoms inactive in these hydrogen bonds, are engaged in the C-H···O short contacts, which can be treated as weak hydrogen bonds, and join the chains into a three-dimensional network. The presence of protonated 1-piperidineacetic acid (III) and its zwitterion (II) in the crystal has been confirmed by 13C CP MAS NMR and solid state FTIR spectra.
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Reference:
Isoxazole – Wikipedia,
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