Синтез и строение 2-фенил-карборанилкарбоксилата дифенилвисмута

V. I. Bregadze; S. A. Glazun; A. N. Efremov; V. A. Sharutin

doi:10.14529/chem200101

Authors

V. I. Bregadze Институт элементоорганических соединений им. А.Н. Несмеянова РАН
S. A. Glazun Институт элементоорганических соединений им. А.Н. Несмеянова РАН
A. N. Efremov Южно-Уральский государственный университет
V. A. Sharutin Южно-Уральский государственный университет

DOI:

https://doi.org/10.14529/chem200101

Keywords:

triphenylbismuth, 2-phenylcarboranylcarboxylic acid, diphenylbismuth 2-phenylcarboranylcarboxylate, substitution reaction, X-ray diffraction analysis

Abstract

Diphenylbismuth 2-phenylcarboranylcarboxylate (1) has been obtained by the interaction between triphenylbismuth and 2-phenylcarboranylcarboxylic acid in benzene in 91% yield. The compound has been identified by IR spectroscopy and X-ray diffraction analysis. According to the X-ray diffraction analysis the target product 1 is a benzene solvate and has a polymer structure [C₄₈H₅₆O₄B₂₀Bi₂, М = 1331.09; the triclinic system, space group Р ; a 10.602(7), b 13.211(10), c 20.07(2) Å; α 93.47(4), β 90.02(4), γ 90.01(3) degrees; V 2806(4) Å³; Z 2;
ρ_calc 1.575 g/cm³; µ 6.304 mm^–1; F(000) 1284.0; crystal size 0.55×0.11×0.07 mm; 2θ for data collection 5.26–56.98 degrees; index ranges –13 ≤ h ≤ 13, –16 ≤ k ≤ 16, –25 ≤ l ≤ 25, total reflections 60631; independent reflections 11732; R_int 0.0938; variables 727; GOOF 1.013;
R₁ = 0.0338; wR₂ = 0.0628; residual electron density 1.50/–1.05 e/Å³]. The crystal contains two types of crystallographically independent molecules (a and b), the crystallographic parameters of which are slightly different from each other. Bismuth atoms have a bisphenoid coordination with the apically located oxygen atoms of carboxylate substituents. Two phenyl ligands and an electron lone pair are in the equatorial plane. The OBiO axial angles are 159.62(12)° and 159.95(12)°. The CSbC equatorial angles are 103.4(2)° and 103.0(2)° in molecules a and b, respectively. The Bi–C bond lengths are 2.232(6), 2.303(7) Å (a) and 2.240(5), 2.300(7) Å (b); they are comparable with the similar distances for the previously structurally characterized diarylbismuth carboxylates. Through interactions of bismuth atoms with oxygen atoms, molecules of one layer in a crystal form the [···Bi(Ph)₂–O–C(R)=O···]_n polymer chains along the crystallographic axis a. Complete tables of coordinates of atoms, bond lengths and valence angles are deposited at the Cambridge Structural Data Bank (No. 1957181; deposit@ccdc.cam.ac.uk; http:// www.ccdc.cam.ac.uk/data_request/cif).

Author Biographies

V. I. Bregadze, Институт элементоорганических соединений им. А.Н. Несмеянова РАН

заведующий лабораторией алюминий- и борорганических соединений, доктор химических наук, профессор

S. A. Glazun, Институт элементоорганических соединений им. А.Н. Несмеянова РАН

научный сотрудник лаборатории Алюминий- и борорганических соединений

A. N. Efremov, Южно-Уральский государственный университет

аспирант, кафедра теоретической и прикладной химии

V. A. Sharutin, Южно-Уральский государственный университет

доктор химических наук, профессор, главный научный сотрудник Управления научной и инновационной деятельности

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