Geometry and bond-length alternation in nonlinear optical materials. III. Structural parameters of two chromophores containing aromatizable donorsPart II: Gainsford, Bhuiyan & Kay (2008a).

摘要: The planar component of 2-{3-cyano-4-[3-(1-decyl-1,4-dihydroquinolin-4-ylidene)prop-1-enyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile, C(32)H(46)N(4)O, (I), forms into layers parallel to the (\overline{1}01) plane. larger two spaces between is filled by alkyl chains, giving a ;sandwich stack' appearance. packing 2-{3-cyano-4-[5-(1-decyl-1,4-dihydroquinolin-4-ylidene)penta-1,3-dienyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile, C(34)H(38)N(4)O, (II), which has partial disorder in 1-decyl group, utilizes weak C-H...N, C-H...O and C-N...pi interactions three-dimensional ;herring-bone' array with molecular segments (111) (\overline{1}1\overline{1}) planes. Different rotational isomers respect polyene chain 5,5-dimethyl-2,5-dihydrofuran-2-ylidene link are observed structures. significance study lies delocalization charge along supramolecular aggregation present, highlight difficulty obtaining noncentrosymmetric alignment required for high nonlinear optical (NLO) responses zwitterionic chromophores.