The crystal structure of triphenylphosphineoxide – 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione (2/1), C₄₂H₃₂Cl₂O₆P₂

Abstract

C 42 H 32 Cl 2 O 6 P 2 , P1 (no. 2), a = 8.4669(12) Å, b = 9.7245(14) Å, c = 12.2425(17) Å, α = 69.887(6)°, β = 77.758(6)°, γ = 74.915(6)°, CCDC no.: 1527330A part of the title crystal structure is shown in the figure. Tables 1 and 2 contain details on the crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters. Source of materialTriphenylphosphineoxide, Ph 3 PO (0.10 g, 0.359 mmol) was dissolved in acetonitrile (5 mL), and treated with 2,5-dichloro-3,6-dihydroxy-2,5-cyclohexadiene-1,4-dione, H 2 CA (0.08 g, 0.359 mmol) at room temperature. The resulting mixture was stirred for 6 h, and then the volatile material was removed in vacuo. The resulting reddish was washed with diethyl ether (2 × 10 mL), and dried in vacuo. The product was dissolved in acetonitrile/methanol (4:1) and the solution was left to stand at 255 K for a few days after which orange plate crystals were obtained. IR(ATR): ν PO = 979(vs) and 1118 (m) cm −1 .

Crystal structure of 4-(dimethylamino)pyridin-1-ium-2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olate) 4-dimethylaminopyridine (2:1) water undeca-solvate

“…This analysis forms part of ongoing research to investigate the mechanism of the reactions of O,O'-and N,O-bidentate ligands with transition metals used in the nuclear industry, such as Hf, Zr, Nb, Ta and some other applications [10][11][12][13]. Previously, we have reported on the novel bidentate ligand system, chloranilic acid (caH2), a good proton donor as well as acceptor known to form complexes and co-crystals [14]. The electronic structure of chloranilic acid is susceptible to different degrees of deprotonation and various modes of proton transfer under applied experimental conditions, see Scheme 1.…”