Abstract
The structure of the title compound has been investigated in the solid state and in solution by X-ray and NMR methods, respectively. The crystals are triclinic, space groupP¯1, with cell dimensions:a=9.616(5),b=9.923(9),c=10.21(1)Å,α=118.42(4)°,β=96.10(5)°, γ=94.77(5)°. The structure was solved by direct methods, and refined against 3051 unique reflections by a full-matrix, least-squares procedure, givingR=0.049. A twofold symmetry element in the molecule, found from1H-NMR investigations, has been established by X-ray investigations to be an approximate twofold symmetry axis, bisecting the C(5)-C(6) and C(14)-C(15) bonds.
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Sałański, P., Krajewski, J.W., Gluziński, P. et al. Synthesis, nuclear magnetic resonance, and X-ray investigations of 1,10-diazacyclooctadeca-2,9-dione. Journal of Crystallographic and Spectroscopic Research 21, 195–200 (1991). https://doi.org/10.1007/BF01161064
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DOI: https://doi.org/10.1007/BF01161064