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Molecular and Crystal Structure of 4-[2-(4-Dimethy aminophenyl)ethenyl]-1-methypyridinium tetraphenylborate
Authors:LI Shu-Jin  ZHANG De-Chun  HUANG Zhong-Lin  ZHANG Yan-Qiu  YU Kai-Bei
Abstract:The title compound, C40H39N2B, Mr=558.54, crystallizes in space group P21/c, monoclinic, a=18.013(3), b=10.821(2), c=17.321(3),β=112.20(1)°, V=3125.9(9)3, Z=4, Dc=1.187g/cm3, μ(MoKα)=0.068mm-1, F(000)=1192. The final R and wR(F2) are 0.0467 and 0.0972 for 2353 observed reflections (I>2σ(I)), respectively. In the title molecule, the pyridyl ring of the cation makes dihedral angle of 19.94° with the phenyl ring. The anion takes a slightly distorted tetrahedral geometry. In the crystal, along the screw axis b, the centrosymmetric anion pairs form double chains, which are in turn related by the glide plane c, forming double layers. The centrosymmetric cation pairs are related by screw axis b and located between the double sheets of the anion.
Keywords:molecular structure  crystal structure  molecular packing  N-methyl-stilbazolium salt
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