MOLECULAR-STRUCTURE OF O-5-ACETYL-4,5-DIMETHYL-2,3,3-TRICYANOCYCLOPENTENE

Authors
KONOVALIKHIN SV ZOLOTOY AB ATOVMYAN LO
Citation
Sv. Konovalikhin et al., MOLECULAR-STRUCTURE OF O-5-ACETYL-4,5-DIMETHYL-2,3,3-TRICYANOCYCLOPENTENE, Russian chemical bulletin, 42(11), 1993, pp. 1816-1820
Citations number
16
Categorie Soggetti
Chemistry
Journal title
Russian chemical bulletin → ACNP
ISSN journal
10665285
Volume
42
Issue
11
Year of publication
1993
Pages
1816 - 1820
Database
ISI
SICI code
1066-5285(1993)42:11<1816:MOO>2.0.ZU;2-#
Abstract
The structure of o-5-acetyl-4,5-dimethyl-2,3,3-tricyanocyclopentene wa s determined by X-ray analysis. The origin of the observed molecular c onformation and lengthening of the endocyclic bonds C(3)-C(4) 1.565 an gstrom and C(4)-C(5) 1.558 angstrom are discussed. With the use of mol ecular 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-CR1R2R3 (R1, R2, R3 not-equal CN) fragment is one of the causes for lengthening of this bond.