0000000000560641

AUTHOR

Monaam Ben Ali

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X-ray Crystal Structure and Hirshfeld Analysis of Gem-Aminals-Based Morpholine, Pyrrolidine, and Piperidine Moieties

2020

The gem-aminals of 1,2-dimorpholinoethane (1) and 1-morpholino-3-morpholinium bromide propane (2) were synthesized by reaction of two molar ratio of morpholine with the halogenating agents in the presence of basic condition (K2CO3) in acetone at room temperature (RT) overnight. The structures of the centro-symmetric compound 1 and the morpholinium salt derivative 2 were assigned unambiguous by single crystal X-ray diffraction analysis and compared with the 1,2-di(pyrrolidin-1-yl)ethane 3 and 1,2-di(piperidin-1-yl)ethane 4. The 1,2-dimorpholinoethane molecule has a center of symmetry at the midpoint of the C-C bond of the ethyl moiety leading to two equivalent halves. It crystallized in mono…

Physics and Astronomy (miscellaneous)General MathematicspyrrolidineaminalsCrystal structure010402 general chemistryDFT01 natural sciencesPyrrolidineX-raychemistry.chemical_compoundMorpholinemorpholineComputer Science (miscellaneous)MoleculeHOMO/LUMOorgaaniset yhdisteetamiinit010405 organic chemistrylcsh:MathematicstiheysfunktionaaliteoriaHirshfeld analysispiperidinelcsh:QA1-9390104 chemical sciencesCrystallographyMolecular geometrychemistryChemistry (miscellaneous)Single crystalröntgenkristallografiaMonoclinic crystal systemSymmetry
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