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Crystal and molecular structure of the “asymmetric-ethylenediamine-N,N-di-3-propionic acid monohydrate
文摘
A new complexing agent the “asymmetric-ethylenediamine-N,N-di-3-propionic acid (as.EDDP) is obtained. The crystal structure of the new compound is determined by single-crystal X-ray diffraction. C8H16N2O4·H2O crystals are monoclinic; space group P21/c, a = 12.7416(4) ?, b = 6.5470(2) ?, c = 12.1908(4) ?, β = 93.100(1)°, Z = 4, ρ x = 1.454 mg/m3, and R 1 (I > 2.0σ(I)) = 0.0326. In the solid form, the as.EDDP molecule has a double betaine structure: The intramolecular hydrogen bonds with the betaine proton of the tertiary nitrogen atom are formed with the participation of one oxygen atom of the carboxyl group of each 3-propionic fragment, which forms two N(1)-H(1N)-bonded six-membered H-cycles. The intermolecular hydrogen bonds are formed between the three hydrogen atoms of the protonated primary nitrogen atom and the oxygen atoms of the 3-propionic fragments of three other as.EDDP molecules. The water molecule participates in the formation of intermolecular hydrogen bonds with the oxygen atom of one carboxyl group of the molecule.
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