Crystal Structure of 1,3-Diphenyl-2,3-dihydro-1H-benzo[d][1,3]dithiole-1,3-dinium Bis(tetrafluoroborate) Acetonitrile Solvate

抄録

The structure of 1,3-diphenyl-2,3-dihydro-1H-benzo[d][1,3]dithiole-1,3-dinium bis(tetrafluoroborate) acetonitrile solvate (1) was determined by X-ray crystallography. It crystallizes in the space group P1 (#2) with cell parameters a = 8.3368(2)Å, b = 8.9193(2)Å, c = 16.7407(4)Å, α = 79.659(2)°, β = 77.822(2)°, γ = 78.551(2)°, Z = 2, and 1180.22(5)ų. The R1(I > 2σ(I)) and wR2 (all data) values are 0.0770 and 0.2579, respectively. The structure of 1 consists of [C₁₉H₁₆S₂]²⁺ and 2BF₄⁻ ion pair with CH₃CN. Intermolecular C–H···F, C–H···N interactions, S···F, C···F contacts were observed in the crystal lattice.