Journal of molecular structure

Electronic structure and conformational properties of the amide linkage: Part 3 [1]. Conformational properties and molecular structure of 1, 1′-carbonylbisaziridine …

R Boese, P Rademacher, L Treschanke

Index: Boese, R.; Rademacher, P.; Treschanke, L. Journal of Molecular Structure, 1985 , vol. 131, p. 55 - 60

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Citation Number: 8

Abstract

Abstract The conformational properties of 1, 1′-carbonylbisaziridine (2) have been studied by MNDO calculations. A structure with C 2-symmetry has been found as the most stable conformer. C 3V-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 ...