Abstract
The crystal structure of the title compound has been determined. The crystals are orthorhombic: Pna2 1 , a = 8.6190(6), b = 10.9705 (6), c = 18.7157 (6) A, V = 1769.7 (2)A 3 , Z = 4. The structure was solved by direct methods and refined using 2127 reflections with F 2 ≥2σ(F 2 ) to a final R=0.0371 and wR(F 2 )= 0.0865. Second-harmonic generation (SHG) activity was checked by Kurtz powder method in relation to urea. The molecule reveals the Z, Z,s-E-configuration of the 1,4-diazabutadiene fragment with a N=C-C=N torsion angle of -145.8(3)°. All aryl rings are twisted against each other. The crystal packing is controlled by very weak C-H...O hydrogen bonding, coupling of dipoles and weak van der Waals interactions. An influence of π-electron conjugation on the geometry of the nitrone moiety in conjugated systems X=C-C=N→O (X = C, N or O) is discussed.
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