6533b824fe1ef96bd12816fb

RESEARCH PRODUCT

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

Abdullah Saleh AlamaryAbdullah Mohammed Al-majidMohammad Shahidul IslamMatti HaukkaMonaam Ben AliAssem BarakatSaeed AlshahraniSaied M. Soliman

subject

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 system

description

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 monoclinic crystal system and P21/n space group, while the unit cell parameters are determined to be a = 6.0430(3), b = 8.0805(3), c = 11.1700(4) &Aring

yearjournalcountryeditionlanguage
2020-12-24Symmetry
https://doi.org/10.3390/sym13010020