Crystal structure of three diaza-crowns-18
Abstract
The crystal structures of three diaza crowns-18, namely 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (crown 1), 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diacetonitrile (crown 2) and N,N′-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyldi-2,1-ethanediyl)bis-[4-methyl-benzenesulfonamide] (crown 3) have the following space groups and unit cell parameters: crown 1(C12H26N2O4), monoclinic, P21/c, Z = 2, a = 10.207(3) Å, b = 8.494(3) Å, c = 8.942(3) Å, β = 109.39(3)°; crown 2(C16H28N4O4), triclinic, P[unk], Z = 1, a = 6.226(3) Å, b = 8.367(4) Å, c = 9.323(4) Å, α = 74.13(3)°, β = 74.66(2)°, γ = 81.56(2)°; and crown 3 (C30H48N4O8S2), triclinic, P[unk], Z = 1, a = 7.880(3) Å, b = 10.559(4) Å, c = 10.984(4) Å, α = 72.63(3)°, β = 77.67(3)°, γ = 71.87(3)°. The structures were solved using direct methods and refined by full-matrix least-squares techniques to R1 of 0.039, 0.045 and 0.055, respectively. Geometry of the 18-membered ring of the crowns studied, in the neat state and engaged in complexes with alkali metals, has been thoroughly examined in order to reveal similarities and differences between them, relations between constitution and ability to interaction, as well as possibilities of selective complexation of metal cations.
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- Surface X-ray diffraction on clean and Cs-covered Ag(001)
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