Journal of Molecular Structure p. 55 - 60 (1985)
Update date:2022-08-28
Topics:
Boese, R.
Rademacher, P.
Treschanke, L.
The conformational properties of 1,1'-carbonylbisaziridine (2) have been studied by MNDO calculations.A structure with C2-symmetry has been found as the most stable conformer.C2v-structures correspond to conformers of higher energy.The X-ray structure analysis confirmed the theoretical results.The following structural parameters have been found: C=O 1.211(2), C-N 1.389(1), N-C(ring) 1.455(2) and 1.460(2), C-C 1.485(2) Angstroem, O-C-N 123.5(1), C-N-C(ring) 120.2(1) and 121.6(1) deg, torsional angle φ = 83.8(1) deg.Substituent effects on the structure of the aziridine ring are discussed.
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