Application In Synthesis of 1-Piperidineacetic Acid. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1-Piperidineacetic Acid, is researched, Molecular C7H13NO2, CAS is 3235-67-4, about Two independent hydrogen bonded complexes of bis(1-piperidiniumacetate) hydrochloride in the crystal and in the PM3 optimized structure. Author is Dega-Szafran, Z.; Petryna, M.; Dutkiewicz, G.; Kosturkiewicz, Z..
Bis(1-piperidiniumacetate) hydrochloride, (PAA)2H+·Cl-, was synthesized and its structure solved by x-ray diffraction. The crystals belong to the triclinic system with two sym. independent H bonded complexes, denoted A and B, at two different inversion centers. The compound crystallizes in space group P1̅ with a 8.559(1), b 9.625(1), c 11.441(1) Å, α 74.85(1), β 68.22(1), γ 84.10(1)°, Z = 2, R = 0.036. Each complex consists of two 1-piperidiniumacetate moieties. Four 1-piperidiniumacetates, as zwitterions, are held together by a network of H bonds O···H···O (2.462(3) and 2.463(3) Å), N-H···O (2.755(2) Å) and N-H···Cl (3.167(2) Å). Both N-H atoms in complex A interact with Cl anions. A number of week C-H···Cl contacts stabilize the three-dimensional crystal structure. In the isolated mol. of (PAA)2H+·Cl- optimized by the PM3 method, there also are two independent H bonded complexes. In complex A the neutral form of 1-piperidineacetic acid interacts with its anionic form, while in complex B the 1-piperidiniumacetic acid, as a cation, forms a H bond with its zwitterionic form. FTIR spectrum of bis(1-piperidiniumacetate) hydrochloride was analyzed and discussed.
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