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 Å and C(4)-C(5) 1.558 Å 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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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 1902–1906, November, 1993.
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Konovalikhin, S.V., Zolotoy, A.B. & Atovmyan, L.O. Molecular structure of 1-ammo-5-acetyl-4,5-dimethyl-2,3,3-tricyanocyclopentene. Russ Chem Bull 42, 1816–1820 (1993). https://doi.org/10.1007/BF00698994
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DOI: https://doi.org/10.1007/BF00698994