Structural Characterization of the Reaction Products of Vanadium(II) and Endrin as 2 Isomers of 1,8,exo-9,10,11-Pentachloropentacyclo[6.2.1.1^3,6.0^2,7.0^4,10]dodecan-5-one

Abstract

Two dechlorinated products (B) and (D), formed in the reaction between endrin (C₁₂H₈Cl₆O) and vanadium(II) for the purpose of confirmation of identity, are shown by single-crystal X-ray structure determination to be isomers of the title compound, C₁₂H₉Cl₅O. Crystals of both are monoclinic, P2₁/c. For isomer (B), a 7.432(8), b 12.76(1), c 14.55(2) Å , β 108.32(9)º, Z=4; R was 0.038 for 2594 observed reflections. For isomer (D), a 9.037(4), b 12.004(4), c 14.436(6) Å , β 124.91(2)°, Z= 4; R was 0.041 for 1826 reflections. The geometries of the two isomers are compared.