X-RAY DIFFRACTION STRUCTURAL STUDY OF 1,3-BIS(DICYANOMETHYLENE)-2-INDANE

Article abstract of DOI:10.1007/BF00773272

The structural formula was determined for 1,3-bis(dicyanomethylene)-2-<4'-(N,N-diethylamino)phenylimino>indane in a diffractometric study.The unit cell parameters were a = 8.725, b = 8.238, c = 16.335 Angstroem, α = 74.50 deg, β = 89.61 deg, γ = 69.60 deg, space group P<*>, Z = 2.A total of 1706 reflexions were recorded.The structure was solved by the direct method to R = 0.049.Due to steric factors, the electron-withdrawng dicyanomethyleneindane fragment and the electron-donor diethylaminophenyl fragment are twisted relative to each other such that dihedral angle between the indane and phenylene rings is 38.2 deg.Bond length changes indicate intramolecular charge transfer.The five-membered ring of the indane system has envelope conformation, while the phenylene ring is a compressed boat.The dicyanomethylene groups have different twist angles (19.0 and 4.0).