Abstract
The structure of 1-amino-5-acetyl-4,5-dimethyl-2,3,3-tricyanocyclopentene was determined by X-ray analysis. The origin of the observed molecular conformation and lengthening of the endocyclic bonds C(3)-C(4) 1.565 A and C(4)-C(5) 1.558 A are discussed. With the use of molecular orbital perturbation theory it was shown that weakening of the C(3)-C(4) bond due to interactions of molecular orbitals in the -C(CN)2-CP1R2R3 (R1, R2, R3≠CN) fragment is one of the causes for lengthening of this bond.
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