Conformational analysis of rotational barriers in N-arylpyrrolidin-2-ones

…, JCA Boeyens, L Denner, KE Du Plooy…

Index: Billing, D. G.; Boeyens, J. C. A.; Denner, L.; Plooy, K. E. Du; Long, G. C.; Michael, J. P. Acta Crystallographica, Section B: Structural Science, 1991 , vol. 47, # 2 p. 284 - 288

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Citation Number: 6

Abstract

Abstract The structures of N-phenylpyrrolidin-2-one and the three isomeric N-tolylpyrrolidin- 2-ones have been studied by single-crystal X-ray diffraction, as a basis for the conformational analysis of the barrier to rotation around the single bond between the rings. Force-field simulation of the molecular structure is consistent with a rotational barrier of 7 kJ mol-Crystal data: N-phenylpyrrolidin-2-one, ortho-rhombic, Pbca, a= 14.114 (3), b= 6.879 ( ...