Crystal structure of (R)-N,N′,N′,N″,N″-pentamethyl-N-(1-phenylethyl)- guanidinium iodide, [C14H24N3]I
Year: 2009
Type: article
Abstract: C 14H24IN3,m onoclinic, P1211(no.4), a =10.599(3)Å, b =10.737(4)Å, c =14.970(5) Å, b =90.02(3)°,V =1703.6Å 3 , Z =4,R gt (F) =0.054, wR ref (F 2 ) =0.149, T =293 K. Source of materialThe title compound was prepared by methylation of (R)-N,N,N',N'-tetramethyl-N-(1-phenylethyl)guanidine [1] with methyl iodide.The crude product was recrystallized from acetonitrile/diethyl ether, m.p. 145 -1 46 °C.The enantiomerically pure compound has [] a D 20 = -14.3(c =1.00, acetonitrile). Experimental detailsThe b angle of the unit cell is 90.02(3)°,w hich is close to the orthorhombic crystal system.All attempts solving the structure in the orthorhombic crystal system failed.Checking the Laue symmetry of some reflections had confirmed the monoclinic system in this case.Hatoms were located on difference fourier map, but refined with fixed individual displacement parameters using a riding model with d(C-H) ranging from 0.93 to 0.98 Å.Inaddition, the methyl groups were allowed to rotate but not to tip.
Institution: University of Stuttgart
Language: German
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $848
OpenAlex ID: W1987561832