Callaghan Innovation Research Papers

Back to Research Papers

Title2-{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
Publication TypeJournal Article
Year of Publication2014
AuthorsGainsford, G.J., Bhuiyan M.D.H., and Kay A.J.
JournalActa Crystallographica Section E: Structure Reports Online
Paginationo29 - o30
Date Published2014
ISSN16005368 (ISSN)
AbstractIn the title molecule, C48H42N4O 5, 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 (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 R 2 2(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 R 2 2(44) ring motifs. There are also C-H⋯π interactions present, stabilizing the interlayer orientation of the pendant bis(benzyloxy)benzoyloxy group.

Back to top