- Cristallographic and conformational analysis of [(E)-2-[(3- chlorophenylimino)methy]-4-methoxyphenol]
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The crystal structure of C14H12CINO2 was determined by X-ray analysis. It crystallizes in the triclinic space group Pc with a = 12.5346(10) A, b = 4.5101(3) A, c = 12.0534(11) A, α = 90.00°, β = 113.669(6)°, γ = 90.00°, Z = 2, Dx = 1.393 mg/m3, μ (MoKα) = 0.298 mm-1. The title compound is photochromic and molecule is non-planar. It adopts a phenol-imine tautomeric form with a strong intramolecular C-H...N hydrogen bond and a strong intermolecular C-H...O hydrogen bond. Minimum energy conformations AMI were calculated as a function of the three torsion angles θ1(C10-C9-N1-C8), θ2(C9-N1-C8-C1) and θ3(N1-C8-C1-C6), varied every 10°. As in the X-ray experiment results, molecule has an angle that makes it non-planar between two aromatic rings in AM1 optimized geometry. Springer Science+Business Media, LLC 2008.
- Oezek, Arzu,Albayrak, Cigdem,Odabasoglu, Mustafa,Bueyuekguengoer, Orhan
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