139932-38-0Relevant academic research and scientific papers
The Crystal Structures of 2-Phenyl-3,3-dimethyl-1,1-dichlorocyclopropane (I), 2-p-Chlorophenyl-3,3-dimethyl-1,1-dichlorocyclopropane (II) and 2-p-Chlorophenyl-3,3-dimethyl-1,1-dimethoxycyclopropane (III)
Sotofte, Inger,Crossland, Ingolf
, p. 131 - 137 (2007/10/02)
The title compounds, C11H12Cl2, C11H11Cl3 and C13H17ClO2, have been prepared and their structures investigated by X-ray diffraction techniques at T ca.120 K.The crystals of I are triclinic, space group I1, with a=12.268(5), b=6.774(2), c=12.408(6) Angstroem, α=90.70(3), β=97.31(4), γ=89.66(2) deg, and four molecules in the unit cell.Crystals of II are monoclinic, space group P21/n, with four molecules in the unit cell of dimension a=6.466(2), b=14.172(2), c=12.210(6) Angstroem, and β=94.04(3) deg.The crystals of III are triclinic, space group P1 with a=7.396 (2), b=10.796(4), c=17.560(12) Angstroem, α=106.73(4), β=95.84(4), γ=104.00(3) deg and four molecules in the unit cell.The structures were solved by direct methods and refined by least-squares using 2471, 2831 and 3460 intensity measurements respectively, to R values of 0.043, 0.024 and 0.035.In all three structures the phenyl ring adopts the perpendicular conformation with respect to the cyclopropane ring.The substituent-induced bond length asymmetries observed in these cyclopropane derivatives are consistent with interactions involving asymmetry parameters such as δ(Cl2)=0.019, δ=0.036 and δ(phenyl)=0 Angstroem.
