Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 1 (January 2014)


organic compounds



su2670 scheme

Acta Cryst. (2014). E70, o29-o30    [ doi:10.1107/S1600536813032868 ]

2-{2-[5-(4-Cyano-5-di­cyano­methyl­idene-2,2-dimethyl-2,5-di­hydro­furan-3-yl)penta-2,4-dienyl­idene]-3,3-dimethyl-2,3-di­hydro-1H-indol-1-yl}ethyl 3,5-bis­(benz­yloxy)benzoate

G. J. Gainsford, M. D. H. Bhuiyan and A. J. Kay

Abstract: In the title mol­ecule, C48H42N4O5, a potential non-linear optical compound, the furan ring [r.m.s. deviation = 0.010 (1) Å] and the indolyl­idene ring system [r.m.s. deviation = 0.013 (2) Å] are inclined to one another by 18.52 (6)°. This is similar to the arrangement [16.51 (18)°] found for the N-hy­droxy­ethyl adduct of the title compound [Bhuiyan et al. (2011). Mol. Cryst. Liq. Cryst. 548, 1-12]. Replacing the hy­droxy­ethyl group with 3,5-di­benzyl­oxybenzoate has not resulted in a non-centrosymmetric lattice arrangement or significant changes to the basic mol­ecular structure. In the crystal, mol­ecules are linked via pairs of C-H...N hydrogen bonds, forming inversion dimers with an R22(20) ring motif. The dimers are linked via C-H...O hydrogen bonds, forming C(17) chains along [010]. The chains are linked by further C-H...N hydrogen bonds, forming layers parallel to (001) and enclosing R22(44) ring motifs. There are also C-H...[pi] inter­actions present, stabilizing the inter­layer orientation of the pendant bis­(benz­yloxy)benzo­yloxy group.


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