Tris(Para-Tolyl)Bismuth Bis(Bromo¬difluoroacetate). Synthesis and Structure Features

V. S. Senchurin

Abstract


The interaction of tri(para-tolyl)bismuth with tert-butyl hydroperoxide and bromodifluoroacetic acid in diethyl ether have synthesized tris(para-tolyl)bismuth bis(bromodifluoroacetate). The X-ray diffraction pattern for the crystal has been obtained at 293 K on an automatic diffractometer D8 Quest Bruker (MoKα-radiation, λ = 0.71073 Å, graphite monochromator), the results are [C25H21O4F4Br2Bi, M 830.22, the triclinic syngony, the symmetry group P–1; cell parameters: a = 10.292(8), b = 11.752(9), c = 12.693(9) Å, α = 89.42(2) degrees, β = 78.04(3) degrees, γ = 78.04(3)  degrees; V = 1424.8(18) Å3; the crystal size is 0.73×0.57×0.41 mm; intervals of reflection indexes are –13 ≤ h ≤ 13, –15 ≤ k ≤ 15, –16 ≤ l ≤ 16; total reflections 45443; independent reflections 7096; Rint0.1030; GOOF 1.049; R1 = 0.0739, wR2 = 0.1834; residual electron density 2.11/–2.78 e/Å3], the bismuth atom have a distorted trigonal-bipyramidal coordination. The OBiO axial angle is 172.2(3) degrees; the sum of the CBiC angles in the equatorial plane is 360.6. The Bi–O and Bi–C bond lengths are 2.275(8), 2.295(8) Å and  2.187(10)–2.212(13) Å. The Bi···O=С distances are 3.127(10) and 3.159(10) Å, which is less than the sum of the van der Waals radii of bismuth and oxygen (3.59 Å). There are no intermolecular contacts H∙∙∙Hal in the crystal. Complete tables of coordinates of atoms, bond lengths and valence angles for the structure are deposited at the Cambridge Structural Data Bank (no. 1923097; deposit@ccdc.cam.ac.uk; http: //www.ccdc.cam.ac.uk).


Keywords


tri(para-tolyl)bismuth; bromodifluoroacetic acid; tris(para-tolyl)bismuth bis(bromodifluoroacetate); synthesis; structure; X-ray analysis

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