Crystal Structure of (−)474CD mer-{N-(2-Aminoethyl)-1,3-propanediamine}(diethylenetriamine)cobalt(III) Iodide Monohydrate, (−)474CD mer-[Co(aepn)(dien)]I3·H2O
- 1 November 1984
- journal article
- research article
- Published by Oxford University Press (OUP) in Bulletin of the Chemical Society of Japan
- Vol. 57 (11) , 3094-3098
- https://doi.org/10.1246/bcsj.57.3094
Abstract
The crystal structure of (−)474CD mer-[Co{N-(2-aminoethyl)-1,3-propanediamine}(diethylenetriamine)]I3·H2O has been determined by means of X-ray diffraction. The crystal is monoclinic, with a space group of P21, a=9.662(2), b=14.602(2), c=8.201(3), β=112.87(4)°, and Z=2. The structure was solved by the Patterson-Fourier method and refined by the full-matrix least-squares method, which yielded an R value of 0.060 for the 2441 observed reflections. Each ligand molecule acts as a terdentate with meridional configurations. The absolute configuration of the coordinated asymmetric nitrogen atom in N-(2-aminoethyl)-1,3-propanediamine was determined to be R. The six-membered chelate ring in N-(2-aminoethyl)-1,3-propanediamine adopts a chair conformation, and the conformation of the five-membered chelate ring is δ. The conformations of the two five-membered chelate rings formed by diethylenetriamine are δ and λ, and the N(secondary)-H bond is oriented toward the six-membered chelate ring formed by N-(2-aminoethyl)-1,3-propanediamine.Keywords
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