Structure of hydroxybutyltriphenyl¬phosphonium bromide

Abstract

The ionic phosphorus complex [Ph3P(CH2)4OH]Br (1), in whose phosphonium cations the phosphorus atoms have a distorted tetragonal coordination, has been structurally characterized. According to X-ray diffraction data, 1 С22H23BrOP, M 414,28; monoclinic syngony, symmetry group P21/c; cell parameters: a = 11,2489(2), b = 10,12489(2), c = 17,4237(3) Å;  = 90,00, β = 104,070(2),  = 90,00; V = 1924,56(5) Å3, Z = 4, calc = 1,430 g/cm3,  = 2,226 mm1, F(000) = 852,0, θ data acquisition range, deg: 2,66630,507, crystal size 0,443×0,417×0,194 mm; reflection index ranges –16 ≤ h ≤ 16, –14 ≤ k ≤ 14, –24 ≤ l ≤ 24; total reflections 51385; independent reflections 5297; Rint = 0,0300; GOOF 1,043; R1 = 0,0246, wR2 = 0,0633; residual electron density 0,740/–0,250 e/Å3]. In hydroxybutyl triphenylphosphonium cations 1, the phosphorus atoms have tetragonal coordination, the CPC angles in which varied in the range of 106,50(6)110,86(6), the PC distances were 1,7931(12)1,8004(12) Å, which is slightly lower than the sum of the covalent radii of the partner atoms (1,83 Å). Complete tables of atomic coordinates, bond lengths and bond angles for the structure have been deposited with the Cambridge Crystallographic Data Centre (No. 2533439 (1); deposit@ccdc.cam.ac.uk; http://www.ccdc.cam.ac.uk).