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ETUDE STRUCTURALE DES STILBENES I. STRUCTURES PAR DIFFRACTION DE RAYONS X DE TROIS α-CYANOSTILBENES
Tinant, B.,Touillaux, R.,Declercq, J. P.,Meerssche, M. Van,Leroy, G.,Weiler J.
, p. 101 - 110 (2007/10/02)
The X-Ray crystal and molecular structures of three α-cyanostilbene derivatives were solved by direct methods from diffractometer data. (I) Trans-4'-dimethylamino-4-nitro-α-cyano-β-ethylstilbene, C19H19N3O2, is triclinic, P(-1), with a = 10.725(3), b = 10.860(3), c = 8.451(2) Angstroem, α = 113.24(3), β = 79.56(2), γ = 111.13(3) degree, V = 842.8 Angstroem3, Z = 2. (II) Cis-4'-nitro-α-cyanostilbene, C15H10N2O2, is monoclinic, P21, with a = 5.655(2), b = 17.004(5), c = 6.521(2) Angstroem, β = 95.50(3) degree, V = 624.1 Angstroem3, Z = 2. (III) Cis-4-nitro-α-cyano-β-methylstilbene, C16H12N2O2, is monoclinic, C2/c, with a = 23.104(3), b = 10.319(2), c = 13.310(4) Angstroem, β = 118.08(2) degree, V = 2799.8 Angstroem3, Z = 8.In the three compounds, the phenyl groups are twisted out of the ethylenic bond plane in order to avoid steric hindrance.The C(phenyl)-C=C bond angles are significantly greater than 120 degree except around C(β) in I and III.
